[CPMD-list] How can we check if the nose parameters are good or not from the cpmd output?
osirixu-cpmd at yahoo.com.cn
osirixu-cpmd at yahoo.com.cn
Fri May 19 11:19:14 CEST 2006
Dear cpmders,
I am doing a varible cell md using
"PARRINELLO-RAHMAN NPT" (T: 90K, P: 250kba) restarted
from a previous md using NVE ensemble. I set the noses
both for ions and electrons, but not for the cell. I
don't know how to pick a good value for "NOSE CELL",
and just set the CMASS bigger. (Is there any detailed
document about the calculation of the average
temperature and NH-thermostat frequency of the cell
using fourier.x?)
The corresponding keywords are given below:
[...]
PARRINELLO-RAHMAN NPT
CMASS
500
NOSE IONS MASSIVE
90.0 1600.0
NOSE ELECTRONS
0.003 5500.D0
[...]
"NOSE PARAMETERS" is set in default, other keywords in
my input file are nearly the same as my previous post
here (except a few modifications according to the tips
from Axel and Juerg):
http://www.cpmd.org/pipermail/cpmd-list/2006-May/004891.html
It seems that the motions of electrons, ions, and
the size of the cell were in oscillation. (I have
attached the files ENERGIES, CELL, and STRESS below.)
Is it ok to do further jobs, such as LINEAR RESPONSE
and VIBRATIONAL ANALYSIS, from this state? Besides,
what does EKINH in the third column in file ENERGIES
represent for?
Any advice or suggestions are greatly
appreciated!
Many Thanks!
Rex
May 19, 2006
===============>ENERGIES<==================
NFI EKINC EKINH TEMPP
EKS ECLASSIC EHAM
DIS TCPU
1 0.00001914 0.00000000 27.935
-331.8541772526 -323.6750708680 -323.6750517238
0.996052E-06 66.37
2 0.00017894 0.00000000 27.745
-331.8540839610 -323.6752195942 -323.6750406519
0.397694E-05 66.14
3 0.00051968 0.00000000 27.422
-331.8540070800 -323.6755557577 -323.6750360809
0.890444E-05 66.13
4 0.00100321 0.00000000 27.058
-331.8540246107 -323.6760377718 -323.6750345622
0.157254E-04 66.67
5 0.00158086 0.00000000 26.712
-331.8541606268 -323.6766160329 -323.6750351703
0.243880E-04 66.04
6 0.00219802 0.00000000 26.419
-331.8544052289 -323.6772349991 -323.6750369772
0.348510E-04 66.61
[...]
1788 0.00314798 0.00000000 22.197
-331.8499648871 -323.6781900052 -323.6750420296
0.196086E-01 65.84
1789 0.00315338 0.00000000 22.204
-331.8499795149 -323.6781954364 -323.6750420609
0.196080E-01 65.90
1790 0.00315909 0.00000000 22.210
-331.8499935824 -323.6782011873 -323.6750421009
0.196066E-01 65.91
1791 0.00316463 0.00000000 22.216
-331.8500065046 -323.6782067459 -323.6750421130
0.196043E-01 67.04
1792 0.00316984 0.00000000 22.221
-331.8500180568 -323.6782119643 -323.6750421220
0.196011E-01 66.11
1793 0.00317465 0.00000000 22.225
-331.8500281027 -323.6782167706 -323.6750421187
0.195971E-01 65.55
1794 0.00317919 0.00000000 22.228
-331.8500367254 -323.6782212826 -323.6750420945
0.195922E-01 66.96
1795 0.00318374 0.00000000 22.231
-331.8500442421 -323.6782258366 -323.6750420983
0.195864E-01 66.71
1796 0.00318837 0.00000000 22.232
-331.8500506452 -323.6782304727 -323.6750421035
0.195798E-01 66.94
1797 0.00319292 0.00000000 22.233
-331.8500557643 -323.6782350936 -323.6750421717
0.195724E-01 66.95
1798 0.00319652 0.00000000 22.232
-331.8500586078 -323.6782387535 -323.6750422358
0.195640E-01 66.34
1799 0.00319824 0.00000000 22.230
-331.8500581948 -323.6782404900 -323.6750422468
0.195549E-01 65.91
1800 0.00319786 0.00000000 22.227
-331.8500542899 -323.6782401084 -323.6750422519
0.195449E-01 66.86
<<<<<< NEW DATA >>>>>>
[...]
<<<<<< NEW DATA >>>>>>
1 0.02631216 0.01418250 103.134
-332.6585655422 -323.3470668352 -323.3065721781
0.242658E-01 82.90
2 0.03344317 0.00370194 102.778
-332.6764244145 -323.3424065877 -323.3052614702
0.333467E-01 82.93
3 0.03441458 0.03839664 103.495
-332.5901190585 -323.3856219517 -323.3128107353
0.418030E-02 83.14
4 0.02771196 0.03787245 104.729
-332.3933088737 -323.3778553988 -323.3122709834
0.146656E-01 82.28
5 0.02308234 0.00307839 105.542
-332.2288592912 -323.3304089423 -323.3042482085
0.559020E-01 83.41
[...]
736 0.02302122 0.03711401 106.436
-332.4395600221 -323.3704475258 -323.3103122925
0.966967E-01 81.77
737 0.02262979 0.00218597 107.392
-332.2611158696 -323.3276630889 -323.3028473271
0.120750E+00 83.23
738 0.02276889 0.01768435 106.909
-332.3291284269 -323.3466685618 -323.3062153284
0.109734E+00 81.92
739 0.02304661 0.04750275 105.251
-332.5662877729 -323.3829054594 -323.3123561016
0.925013E-01 83.75
740 0.02271151 0.02286264 103.516
-332.7514040055 -323.3524127909 -323.3068386457
0.127773E+00 82.19
741 0.02243554 0.00046138 102.794
-332.8021151726 -323.3250354853 -323.3021385643
0.155412E+00 82.15
742 0.02279599 0.03131495 103.466
-332.7240237096 -323.3627486581 -323.3086377128
0.120216E+00 83.02
743 0.02297017 0.04519298 104.994
-332.5150003519 -323.3800934478 -323.3119303034
0.931160E-01 83.42
744 0.02257349 0.01004324 106.228
-332.2938763261 -323.3371590413 -323.3045423198
0.114715E+00 82.44
745 0.02253278 0.00712140 106.176
-332.2812412652 -323.3335782441 -323.3039240703
0.115351E+00 82.09
746 0.02292482 0.04308008 104.776
-332.4912527787 -323.3775464470 -323.3115415401
0.877787E-01 82.87
747 0.02279179 0.03459243 102.944
-332.7090168828 -323.3667478734 -323.3093636549
0.106923E+00 82.92
748 0.02236192 0.00147920 101.849
-332.7996842786 -323.3261970283 -323.3023559122
0.149014E+00 82.46
749 0.02251439 0.01928295 102.114
-332.7609531440 -323.3478765392 -323.3060792004
0.132540E+00 83.04
750 0.02281906 0.04754943 103.464
-332.5873763341 -323.3826664780 -323.3122979846
0.951410E-01 83.85
[...]
1000 0.02021276 0.00994562 87.841
-332.3294158330 -323.3346069398 -323.3044485594
0.111528E+00 81.68
1001 0.02048531 0.01088778 87.951
-332.3080484307 -323.3360955730 -323.3047224776
0.108633E+00 83.34
1002 0.02103223 0.04159065 87.098
-332.4796617971 -323.3738467209 -323.3112238386
0.708219E-01 83.13
1003 0.02086797 0.03113359 85.898
-332.6665629122 -323.3607042846 -323.3087027224
0.772924E-01 82.12
1004 0.02046036 0.00371905 85.174
-332.7604312531 -323.3271280092 -323.3029485987
0.104965E+00 81.82
1005 0.02063126 0.02155068 85.408
-332.7457367700 -323.3488276779 -323.3066457444
0.873488E-01 82.25
1006 0.02083978 0.04427756 86.456
-332.5984489375 -323.3767043620 -323.3115870271
0.696033E-01 83.71
1007 0.02059015 0.02018825 87.610
-332.3782950977 -323.3474140811 -323.3066356828
0.101430E+00 81.88
1008 0.02066450 0.00469730 88.051
-332.2839270407 -323.3287178364 -323.3033560324
0.116891E+00 82.31
1009 0.02124534 0.03343696 87.457
-332.4096029767 -323.3642436618 -323.3095613610
0.806978E-01 82.12
1010 0.02129310 0.03973638 86.261
-332.6122302890 -323.3716221452 -323.3105926688
0.687507E-01 82.80
1011 0.02078735 0.00935488 85.296
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0.980881E-01 82.45
1012 0.02072084 0.01142041 85.206
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0.950516E-01 83.25
1013 0.02098379 0.04130881 86.056
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0.691617E-01 81.45
1014 0.02081130 0.03127031 87.282
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0.888713E-01 82.59
1015 0.02064610 0.00434585 88.024
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0.118461E+00 82.86
1016 0.02111291 0.02256872 87.742
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0.937077E-01 82.58
1017 0.02141232 0.04342136 86.642
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0.660785E-01 81.86
1018 0.02097911 0.01899609 85.499
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0.873643E-01 83.67
1019 0.02063568 0.00507962 85.084
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0.987858E-01 81.72
1020 0.02076732 0.03328086 85.673
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0.731728E-01 82.86
1021 0.02068551 0.03992762 86.879
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1023 0.02074878 0.01227221 87.928
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1024 0.02122905 0.04117346 87.008
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0.706774E-01 82.16
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0.763462E-01 82.33
1026 0.02039441 0.00428528 85.049
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0.973229E-01 83.83
1027 0.02035908 0.02257087 85.331
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0.797313E-01 82.44
1028 0.02040557 0.04364140 86.429
-332.5739180225 -323.3754658351 -323.3114188725
0.694337E-01 82.38
1029 0.02014574 0.01965615 87.595
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0.103423E+00 82.50
1030 0.02025675 0.00562742 87.993
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0.116776E+00 83.02
1031 0.02080422 0.03362749 87.328
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0.818756E-01 82.52
1032 0.02080174 0.03867331 86.075
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0.687379E-01 82.14
1033 0.02022703 0.00923496 85.101
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0.909450E-01 81.84
1034 0.01998829 0.01229129 85.053
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0.860983E-01 82.68
1035 0.02005884 0.04133536 85.961
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0.666769E-01 82.91
1036 0.01985018 0.03068825 87.216
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0.907897E-01 83.48
1037 0.01978138 0.00465218 87.928
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0.120765E+00 83.22
1038 0.02031839 0.02306526 87.574
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0.969853E-01 84.73
1039 0.02062360 0.04295704 86.403
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0.674285E-01 84.03
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0.112190E+00 83.02
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0.736349E-01 83.56
1047 0.02014852 0.02935241 85.444
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0.728680E-01 82.44
1048 0.01961164 0.00404976 84.750
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0.894769E-01 81.83
1049 0.01955926 0.02305695 85.095
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0.738720E-01 83.09
1050 0.01961434 0.04388381 86.248
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0.690170E-01 83.77
1051 0.01941022 0.01917148 87.415
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0.107954E+00 83.04
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0.123501E+00 82.27
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0.864412E-01 81.18
1054 0.02025956 0.03866475 85.705
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0.677001E-01 83.46
1055 0.01972742 0.00858200 84.740
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0.850366E-01 81.51
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0.797758E-01 81.65
1057 0.01962750 0.04203400 85.721
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0.643713E-01 81.86
1058 0.01951695 0.03035213 86.994
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0.942062E-01 82.12
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0.127829E+00 82.15
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0.103045E+00 83.39
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0.687349E-01 82.54
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0.747698E-01 82.86
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0.718664E-01 83.95
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0.864059E-01 81.41
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0.685425E-01 81.62
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1100 0.01901371 0.01359847 83.925
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0.766409E-01 84.57
1101 0.01940754 0.04527873 85.027
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0.633878E-01 81.91
1102 0.01922311 0.02753790 86.321
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==========================================================================================================================
================>CELL<==================
CELL PARAMETERS at Step: 1
24.767694 0.000000 0.000000
0.000000 0.000000 0.000000
0.000000 19.364778 0.000000
0.000000 0.000000 0.000000
0.000000 0.000000 19.981396
0.000000 0.000000 0.000000
CELL PARAMETERS at Step: 2
24.767694 0.000000 0.000000
0.000000 0.000000 0.000000
0.000000 19.364778 0.000000
0.000000 0.000000 0.000000
0.000000 0.000000 19.981396
0.000000 0.000000 0.000000
CELL PARAMETERS at Step: 3
24.767694 0.000000 0.000000
0.000000 0.000000 0.000000
0.000000 19.364778 0.000000
0.000000 0.000000 0.000000
0.000000 0.000000 19.981396
0.000000 0.000000 0.000000
[...]
CELL PARAMETERS at Step: 1799
24.767694 0.000000 0.000000
0.000000 0.000000 0.000000
0.000000 19.364778 0.000000
0.000000 0.000000 0.000000
0.000000 0.000000 19.981396
0.000000 0.000000 0.000000
CELL PARAMETERS at Step: 1800
24.767694 0.000000 0.000000
0.000000 0.000000 0.000000
0.000000 19.364778 0.000000
0.000000 0.000000 0.000000
0.000000 0.000000 19.981396
0.000000 0.000000 0.000000
<<<<<< NEW DATA >>>>>>
CELL PARAMETERS at Step: 1
24.944002 -0.000838 0.008069
0.008111 -0.000022 0.000316
-0.000655 19.525337 0.003351
-0.000022 0.009220 0.000134
0.006510 0.003458 20.098873
0.000316 0.000134 0.006742
[...]
CELL PARAMETERS at Step: 1161
25.192100 0.005271 -0.050482
0.006678 0.000011 -0.000181
0.004665 20.389075 -0.024575
0.000011 -0.000557 0.000061
-0.039965 -0.025463 20.503033
-0.000181 0.000061 0.004318
CELL PARAMETERS at Step: 1181
24.674911 0.005826 -0.047547
-0.003726 0.000028 -0.000209
0.005072 20.219300 -0.013304
0.000028 0.001725 -0.000125
-0.037631 -0.014120 20.282037
-0.000209 -0.000125 -0.001897
<<<<<< NEW DATA >>>>>>
CELL PARAMETERS at Step: 1
25.249556 0.005319 -0.038951
0.006273 0.000008 -0.000171
0.004782 20.269195 -0.005889
0.000008 -0.000085 0.000150
-0.030369 -0.006430 20.665292
-0.000171 0.000150 0.004155
CELL PARAMETERS at Step: 11
24.860196 0.005578 -0.027316
-0.011411 -0.000013 0.000181
0.004887 20.209994 -0.007729
-0.000013 -0.001036 -0.000046
-0.020647 -0.008383 20.489099
0.000181 -0.000046 -0.006995
[...]
CELL PARAMETERS at Step: 731
25.120035 0.013342 -0.060236
0.006747 0.000009 -0.000207
0.010300 20.003422 -0.009334
0.000009 0.006584 -0.000126
-0.047985 -0.011079 20.325132
-0.000207 -0.000126 0.005547
CELL PARAMETERS at Step: 741
25.547820 0.014591 -0.046886
-0.000656 -0.000022 0.000242
0.011262 20.371024 -0.009840
-0.000022 -0.001049 0.000140
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0.000242 0.000140 -0.000396
CELL PARAMETERS at Step: 751
25.045984 0.015145 -0.049271
-0.006255 -0.000002 -0.000203
0.011701 19.973088 -0.014938
-0.000002 -0.004954 -0.000060
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-0.000203 -0.000060 -0.004728
CELL PARAMETERS at Step: 761
25.188207 0.014562 -0.038845
0.008527 0.000023 0.000228
0.011189 20.189459 -0.009200
0.000023 0.008078 -0.000070
-0.030564 -0.011044 20.488553
0.000228 -0.000070 0.007003
CELL PARAMETERS at Step: 771
25.428708 0.013894 -0.042640
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0.010731 20.260564 -0.013361
-0.000005 -0.006786 0.000130
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CELL PARAMETERS at Step: 781
24.874222 0.014163 -0.032479
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0.010858 19.944024 -0.016742
-0.000023 0.001924 -0.000107
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0.000243 -0.000107 -0.000822
CELL PARAMETERS at Step: 791
25.281859 0.014539 -0.037934
0.008096 0.000006 -0.000250
0.011142 20.314147 -0.012093
0.000006 0.003620 -0.000020
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-0.000250 -0.000020 0.005788
CELL PARAMETERS at Step: 801
25.232333 0.013345 -0.030234
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0.010268 20.088196 -0.019629
0.000020 -0.006806 0.000104
-0.023271 -0.021544 20.618611
0.000292 0.000104 -0.006671
CELL PARAMETERS at Step: 811
24.801241 0.012702 -0.032410
0.003522 -0.000013 -0.000306
0.009555 20.069294 -0.021084
-0.000013 0.006104 -0.000149
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-0.000306 -0.000149 0.003470
CELL PARAMETERS at Step: 821
25.383497 0.013731 -0.030900
0.004426 -0.000017 0.000315
0.010522 20.312645 -0.019423
-0.000017 -0.002111 0.000045
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0.000315 0.000045 0.002247
CELL PARAMETERS at Step: 831
24.979621 0.013828 -0.027544
-0.010052 0.000013 -0.000296
0.010579 20.027551 -0.028854
0.000013 -0.002308 0.000042
-0.021485 -0.031054 20.528979
-0.000296 0.000042 -0.006392
CELL PARAMETERS at Step: 841
24.879449 0.013190 -0.031432
0.009068 0.000019 0.000274
0.009895 20.233943 -0.028093
0.000019 0.005006 -0.000146
-0.024545 -0.030545 20.531455
0.000274 -0.000146 0.006421
CELL PARAMETERS at Step: 851
25.393933 0.013842 -0.025994
-0.002236 -0.000014 -0.000238
0.010656 20.245669 -0.030579
-0.000014 -0.004337 0.000085
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-0.000238 0.000085 -0.002263
CELL PARAMETERS at Step: 861
24.735441 0.015200 -0.030997
-0.006489 -0.000013 0.000223
0.011504 20.115163 -0.039120
-0.000013 0.001789 -0.000013
-0.023752 -0.041715 20.426961
0.000223 -0.000013 -0.003457
CELL PARAMETERS at Step: 871
25.070528 0.015963 -0.025764
0.011095 0.000024 -0.000216
0.012118 20.329565 -0.036709
0.000024 0.001421 -0.000131
-0.019341 -0.039498 20.632173
-0.000216 -0.000131 0.006775
CELL PARAMETERS at Step: 881
25.243005 0.015992 -0.030655
-0.008878 0.000013 0.000229
0.012329 20.229383 -0.042494
0.000013 -0.002690 0.000131
-0.023461 -0.044995 20.682308
0.000229 0.000131 -0.005929
CELL PARAMETERS at Step: 891
24.625531 0.016880 -0.023152
0.000852 -0.000017 -0.000240
0.012658 20.258655 -0.047696
-0.000017 0.002408 -0.000090
-0.017326 -0.050848 20.359790
-0.000240 -0.000090 0.000982
CELL PARAMETERS at Step: 901
25.281499 0.018931 -0.030211
0.007827 -0.000003 0.000253
0.014643 20.356396 -0.045459
-0.000003 -0.000529 -0.000064
-0.023632 -0.048153 20.687322
0.000253 -0.000064 0.004347
CELL PARAMETERS at Step: 911
24.992553 0.019347 -0.017980
-0.011729 0.000020 -0.000231
0.014860 20.299712 -0.051826
0.000020 -0.000619 0.000130
-0.013825 -0.055061 20.510536
-0.000231 0.000130 -0.007162
CELL PARAMETERS at Step: 921
24.727730 0.019206 -0.028889
0.008250 0.000013 0.000219
0.014510 20.348275 -0.053638
0.000013 0.000953 -0.000140
-0.022838 -0.057265 20.364064
0.000219 -0.000140 0.005028
CELL PARAMETERS at Step: 931
25.393890 0.020729 -0.012965
0.000564 -0.000020 -0.000162
0.016127 20.383199 -0.051806
-0.000020 0.000112 0.000018
-0.009849 -0.054518 20.683351
-0.000162 0.000018 0.000171
CELL PARAMETERS at Step: 941
24.758149 0.021684 -0.026215
-0.008968 -0.000005 0.000136
0.016533 20.379462 -0.057561
-0.000005 -0.000829 0.000098
-0.020288 -0.061311 20.352135
0.000136 0.000098 -0.005488
CELL PARAMETERS at Step: 951
24.974802 0.021452 -0.009289
0.011663 0.000030 -0.000092
0.016428 20.355774 -0.055816
0.000030 0.000635 -0.000165
-0.006165 -0.059434 20.437377
-0.000092 -0.000165 0.007020
CELL PARAMETERS at Step: 961
25.313027 0.021138 -0.022391
-0.007016 -0.000007 0.000090
0.016405 20.438780 -0.054881
-0.000007 0.000863 0.000111
-0.016714 -0.058090 20.619284
0.000090 0.000111 -0.004112
CELL PARAMETERS at Step: 971
24.633714 0.021172 -0.005859
-0.001925 -0.000021 -0.000074
0.015999 20.369937 -0.058796
-0.000021 -0.002449 0.000014
-0.003121 -0.062657 20.265178
-0.000074 0.000014 -0.001547
CELL PARAMETERS at Step: 981
25.214147 0.021750 -0.019095
0.009407 0.000004 0.000084
0.016875 20.348766 -0.055271
0.000004 0.002686 -0.000126
-0.014215 -0.058414 20.544579
0.000084 -0.000126 0.006132
CELL PARAMETERS at Step: 991
25.078894 0.020313 -0.001981
-0.010927 0.000013 -0.000058
0.015514 20.474227 -0.054777
0.000013 -0.001028 0.000156
-0.000473 -0.058487 20.517187
-0.000058 0.000156 -0.006730
CELL PARAMETERS at Step: 1001
24.677538 0.018925 -0.017880
0.005500 -0.000002 0.000037
0.014294 20.273742 -0.057762
-0.000002 -0.002071 -0.000072
-0.013692 -0.061381 20.281600
0.000037 -0.000072 0.002999
CELL PARAMETERS at Step: 1011
25.327674 0.019181 -0.000057
0.003168 -0.000028 0.000004
0.014758 20.397389 -0.052507
-0.000028 0.004423 -0.000050
0.000789 -0.055384 20.638473
0.000004 -0.000050 0.002795
CELL PARAMETERS at Step: 1021
24.823488 0.018432 -0.018126
-0.009664 0.000004 -0.000048
0.013939 20.408575 -0.054478
0.000004 -0.004662 0.000145
-0.013848 -0.058117 20.413444
-0.000048 0.000145 -0.006674
CELL PARAMETERS at Step: 1031
24.839989 0.016568 -0.001918
0.009622 0.000021 0.000066
0.012520 20.188250 -0.055048
0.000021 0.001681 -0.000130
-0.000346 -0.058259 20.380905
0.000066 -0.000130 0.006250
CELL PARAMETERS at Step: 1041
25.270590 0.015554 -0.019663
-0.003528 -0.000021 -0.000093
0.011790 20.459719 -0.050213
-0.000021 0.002596 0.000038
-0.014685 -0.053256 20.667299
-0.000093 0.000038 -0.001596
CELL PARAMETERS at Step: 1051
24.658278 0.015134 -0.005468
-0.004645 -0.000020 0.000094
0.011279 20.236291 -0.054146
-0.000020 -0.006221 0.000086
-0.002864 -0.057409 20.330514
0.000094 0.000086 -0.004047
CELL PARAMETERS at Step: 1061
25.027020 0.014599 -0.022204
0.009322 0.000011 -0.000118
0.011025 20.206793 -0.052384
0.000011 0.006198 -0.000141
-0.016684 -0.055200 20.503010
-0.000118 -0.000141 0.006997
CELL PARAMETERS at Step: 1071
25.122581 0.012663 -0.008904
-0.007694 0.000009 0.000131
0.009354 20.443364 -0.048872
0.000009 -0.002708 0.000109
-0.005881 -0.052086 20.608389
0.000131 0.000109 -0.005319
CELL PARAMETERS at Step: 1081
24.654327 0.011777 -0.024418
0.001151 -0.000014 -0.000172
0.008681 20.068683 -0.053746
-0.000014 -0.002910 0.000004
-0.018759 -0.056723 20.289620
-0.000172 0.000004 0.000086
CELL PARAMETERS at Step: 1091
25.193210 0.012040 -0.012740
0.006031 -0.000022 0.000184
0.008941 20.331246 -0.048670
-0.000022 0.007047 -0.000101
-0.009374 -0.051466 20.594826
0.000184 -0.000101 0.005107
CELL PARAMETERS at Step: 1101
24.993028 0.011403 -0.026027
-0.008699 0.000017 -0.000215
0.008415 20.316156 -0.048681
0.000017 -0.007449 0.000138
-0.020232 -0.051759 20.482315
-0.000215 0.000138 -0.007058
CELL PARAMETERS at Step: 1111
24.782927 0.010056 -0.016690
0.005565 0.000012 0.000212
0.007346 20.050030 -0.051188
0.000012 0.003558 -0.000065
-0.012522 -0.054105 20.296295
0.000212 -0.000065 0.004128
CELL PARAMETERS at Step: 1121
25.306434 0.010032 -0.027018
0.001608 -0.000020 -0.000216
0.007337 20.455811 -0.044746
-0.000020 0.002563 -0.000038
-0.020920 -0.047836 20.615583
-0.000216 -0.000038 0.001373
CELL PARAMETERS at Step: 1131
24.899193 0.010684 -0.019093
-0.007330 -0.000011 0.000217
0.007845 20.148719 -0.047531
-0.000011 -0.007295 0.000135
-0.014377 -0.050514 20.327889
0.000217 0.000135 -0.006222
CELL PARAMETERS at Step: 1141
24.964816 0.010353 -0.026568
0.008094 0.000020 -0.000225
0.007588 20.197641 -0.046187
0.000020 0.007971 -0.000118
-0.020533 -0.049234 20.340401
-0.000225 -0.000118 0.006622
CELL PARAMETERS at Step: 1151
25.344739 0.009525 -0.019161
-0.002930 0.000008 0.000247
0.006924 20.451860 -0.040089
0.000008 -0.004056 0.000048
-0.014692 -0.043274 20.551079
0.000247 0.000048 -0.002893
CELL PARAMETERS at Step: 1161
24.835574 0.009968 -0.023899
-0.004148 -0.000021 -0.000267
0.007297 20.058984 -0.043429
-0.000021 -0.001906 0.000088
-0.018609 -0.046535 20.191346
-0.000267 0.000088 -0.003087
CELL PARAMETERS at Step: 1171
25.167254 0.010833 -0.018466
0.008650 -0.000006 0.000295
0.007977 20.384051 -0.037654
-0.000006 0.006643 -0.000126
-0.014280 -0.040988 20.392927
0.000295 -0.000126 0.006664
CELL PARAMETERS at Step: 1181
25.300359 0.010459 -0.018934
-0.007067 0.000025 -0.000289
0.007733 20.315714 -0.033921
0.000025 -0.007467 0.000121
-0.014619 -0.037005 20.416010
-0.000289 0.000121 -0.006149
CELL PARAMETERS at Step: 1191
24.821632 0.009565 -0.017572
0.000681 -0.000002 0.000299
0.006934 20.108417 -0.035311
-0.000002 0.004148 0.000017
-0.013291 -0.038549 20.120794
0.000299 0.000017 0.001267
=============================================================================================
===============>STRESS<==================
TOTAL STRESS TENSOR (kB): Step: 1
1907.96639368 102.32737926
-13.15789092
102.32737926 1817.03988339
4.33520552
-13.15789092 4.33520552
1120.95006135
TOTAL STRESS TENSOR (kB): Step: 2
1505.53085793 99.43710058
-13.55123585
99.43710058 1415.16460238
3.14571897
-13.55123585 3.14571897
860.24834684
[...]
TOTAL STRESS TENSOR (kB): Step: 1799
337.02425470 -0.39033532
3.95953629
-0.39033532 351.39072912
2.06872153
3.95953629 2.06872153
321.94415856
TOTAL STRESS TENSOR (kB): Step: 1800
337.10355363 -0.41270085
3.97486966
-0.41270085 351.39591325
2.11020735
3.97486966 2.11020735
321.98502896
<<<<<< NEW DATA >>>>>>
[...]
<<<<<< NEW DATA >>>>>>
TOTAL STRESS TENSOR (kB): Step: 1
126.50349375 0.35382727
1.68178226
0.35382727 236.86914893
-0.93221118
1.68178226 -0.93221118
170.06213290
TOTAL STRESS TENSOR (kB): Step: 2
110.30973278 0.03283655
3.05575139
0.03283655 241.82859829
-2.28318485
3.05575139 -2.28318485
160.10025426
[...]
TOTAL STRESS TENSOR (kB): Step: 1000
388.82535526 0.17486047
2.82562925
0.17486047 259.98876569
0.05794549
2.82562925 0.05794549
337.17807989
TOTAL STRESS TENSOR (kB): Step: 1001
377.37574862 0.41139723
4.12198472
0.41139723 298.59357710
2.08547002
4.12198472 2.08547002
337.80462713
TOTAL STRESS TENSOR (kB): Step: 1002
275.33668676 0.19971797
1.97125562
0.19971797 302.26347973
2.00195490
1.97125562 2.00195490
275.56215949
TOTAL STRESS TENSOR (kB): Step: 1003
162.05262540 -0.22476555
-1.60000129
-0.22476555 269.40550808
0.04779463
-1.60000129 0.04779463
199.50623700
TOTAL STRESS TENSOR (kB): Step: 1004
113.31902339 -0.42079512
-3.75341183
-0.42079512 223.79379681
-1.78826450
-3.75341183 -1.78826450
161.49706715
TOTAL STRESS TENSOR (kB): Step: 1005
155.63993055 -0.19848674
-3.03032589
-0.19848674 195.32804411
-1.88288412
-3.03032589 -1.88288412
182.87303958
TOTAL STRESS TENSOR (kB): Step: 1006
264.06655636 0.24825567
0.13796031
0.24825567 204.02226516
-0.16983484
0.13796031 -0.16983484
250.65324973
TOTAL STRESS TENSOR (kB): Step: 1007
369.46822020 0.47209449
3.44541490
0.47209449 247.25490299
1.77946641
3.44541490 1.77946641
321.80390183
TOTAL STRESS TENSOR (kB): Step: 1008
392.10489765 0.19724963
3.98760585
0.19724963 295.09928170
1.96601758
3.98760585 1.96601758
343.58979781
TOTAL STRESS TENSOR (kB): Step: 1009
311.83562042 -0.28463821
1.18710500
-0.28463821 310.68786925
0.16532663
1.18710500 0.16532663
298.06493453
TOTAL STRESS TENSOR (kB): Step: 1010
192.71510731 -0.44475678
-2.40145609
-0.44475678 283.07289352
-1.69125134
-2.40145609 -1.69125134
221.81926150
TOTAL STRESS TENSOR (kB): Step: 1011
119.31487733 -0.15621686
-3.91491242
-0.15621686 233.52763338
-1.80761150
-3.91491242 -1.80761150
169.21995873
TOTAL STRESS TENSOR (kB): Step: 1012
134.45998752 0.26438619
-2.42492462
0.26438619 195.26805514
-0.19624766
-2.42492462 -0.19624766
171.32691644
TOTAL STRESS TENSOR (kB): Step: 1013
228.01786652 0.41281999
1.00323879
0.41281999 193.70417522
1.64869549
1.00323879 1.64869549
226.06106316
TOTAL STRESS TENSOR (kB): Step: 1014
342.73401051 0.12989098
3.85818411
0.12989098 232.92649095
1.95324435
3.85818411 1.95324435
300.61368827
TOTAL STRESS TENSOR (kB): Step: 1015
395.91484896 -0.29753943
3.61292251
-0.29753943 287.45714950
0.25017225
3.61292251 0.25017225
342.77595931
TOTAL STRESS TENSOR (kB): Step: 1016
343.10465073 -0.38375005
0.31082027
-0.38375005 315.88916684
-1.77340532
0.31082027 -1.77340532
318.61648234
TOTAL STRESS TENSOR (kB): Step: 1017
226.89648949 -0.05239226
-3.08740772
-0.05239226 296.81780983
-1.99636048
-3.08740772 -1.99636048
247.36707391
TOTAL STRESS TENSOR (kB): Step: 1018
134.06052247 0.29497438
-3.85452698
0.29497438 246.11972650
-0.28733051
-3.85452698 -0.28733051
182.11268911
TOTAL STRESS TENSOR (kB): Step: 1019
122.12806169 0.30321888
-1.67426370
0.30321888 198.97224077
1.65838140
-1.67426370 1.65838140
164.07011009
TOTAL STRESS TENSOR (kB): Step: 1020
195.48650983 -0.01540686
1.81292944
-0.01540686 185.87249980
2.07928702
1.81292944 2.07928702
202.93056061
TOTAL STRESS TENSOR (kB): Step: 1021
310.32406681 -0.32962494
4.04493866
-0.32962494 217.75613877
0.48558411
4.04493866 0.48558411
276.56471957
TOTAL STRESS TENSOR (kB): Step: 1022
388.23070610 -0.27672572
3.00771794
-0.27672572 275.70938594
-1.75124474
3.00771794 -1.75124474
336.16962670
TOTAL STRESS TENSOR (kB): Step: 1023
366.88745876 0.10812127
-0.62401057
0.10812127 317.07125444
-2.34858372
-0.62401057 -2.34858372
335.06818175
TOTAL STRESS TENSOR (kB): Step: 1024
262.97481826 0.37027861
-3.61892048
0.37027861 309.84936041
-0.63568391
-3.61892048 -0.63568391
273.26627354
TOTAL STRESS TENSOR (kB): Step: 1025
157.13434258 0.21495551
-3.55439493
0.21495551 261.26251810
1.60905746
-3.55439493 1.60905746
198.74546293
TOTAL STRESS TENSOR (kB): Step: 1026
118.94116876 -0.17224108
-0.79251649
-0.17224108 206.48994977
2.28375430
-0.79251649 2.28375430
161.87650783
TOTAL STRESS TENSOR (kB): Step: 1027
167.76294859 -0.39158928
2.53792269
-0.39158928 180.97143751
0.85926109
2.53792269 0.85926109
183.82649207
TOTAL STRESS TENSOR (kB): Step: 1028
274.41848358 -0.19954196
3.99191148
-0.19954196 202.65079472
-1.44609990
3.99191148 -1.44609990
252.29334449
TOTAL STRESS TENSOR (kB): Step: 1029
370.11910356 0.24561470
2.19241746
0.24561470 260.53309660
-2.51003372
2.19241746 -2.51003372
323.98321482
TOTAL STRESS TENSOR (kB): Step: 1030
381.89016312 0.45529211
-1.56877079
0.45529211 313.89895453
-1.14444140
-1.56877079 -1.14444140
344.81521774
TOTAL STRESS TENSOR (kB): Step: 1031
298.82200446 0.17054602
-3.95219512
0.17054602 321.21994535
1.32658590
-3.95219512 1.32658590
296.78668091
TOTAL STRESS TENSOR (kB): Step: 1032
187.01431290 -0.28491250
-3.01394732
-0.28491250 278.17135230
2.41546177
-3.01394732 2.41546177
218.46886505
TOTAL STRESS TENSOR (kB): Step: 1033
124.36606794 -0.43562435
0.17199336
-0.43562435 217.48752829
1.23425634
0.17199336 1.23425634
165.99512524
TOTAL STRESS TENSOR (kB): Step: 1034
145.96190287 -0.15271812
3.11915866
-0.15271812 179.33229028
-1.00781188
3.11915866 -1.00781188
170.71517511
TOTAL STRESS TENSOR (kB): Step: 1035
237.93263400 0.29566623
3.68221043
0.29566623 188.74986134
-2.33473386
3.68221043 -2.33473386
229.36520795
TOTAL STRESS TENSOR (kB): Step: 1036
344.00623266 0.46189882
1.21352317
0.46189882 243.13095460
-1.47931454
1.21352317 -1.47931454
306.22601380
TOTAL STRESS TENSOR (kB): Step: 1037
387.39872345 0.13827351
-2.44450558
0.13827351 306.35790040
0.86308540
-2.44450558 0.86308540
346.10328679
TOTAL STRESS TENSOR (kB): Step: 1038
331.51564394 -0.32646878
-4.03338450
-0.32646878 329.73572775
2.33334244
-4.03338450 2.33334244
316.23131211
TOTAL STRESS TENSOR (kB): Step: 1039
221.16211873 -0.41875359
-2.24289639
-0.41875359 295.64803721
1.48685288
-2.24289639 1.48685288
241.09885586
TOTAL STRESS TENSOR (kB): Step: 1040
137.51063876 -0.08833395
1.15944286
-0.08833395 231.48262980
-0.65436744
1.15944286 -0.65436744
177.10240308
TOTAL STRESS TENSOR (kB): Step: 1041
131.29682276 0.29509418
3.50439335
0.29509418 181.34351935
-2.04454970
3.50439335 -2.04454970
164.15529398
TOTAL STRESS TENSOR (kB): Step: 1042
204.01636846 0.36446545
3.12739942
0.36446545 177.26959344
-1.50288387
3.12739942 -1.50288387
208.29964626
TOTAL STRESS TENSOR (kB): Step: 1043
312.78048366 0.05124425
0.15004578
0.05124425 224.86183665
0.50902957
0.15004578 0.50902957
283.48027202
TOTAL STRESS TENSOR (kB): Step: 1044
382.97165833 -0.31799494
-3.16191413
-0.31799494 294.60915192
2.08731145
-3.16191413 2.08731145
338.90308991
TOTAL STRESS TENSOR (kB): Step: 1045
357.74244557 -0.31948680
-3.83234050
-0.31948680 334.12993256
1.56122704
-3.83234050 1.56122704
330.97840016
TOTAL STRESS TENSOR (kB): Step: 1046
256.69855827 0.02938603
-1.29169244
0.02938603 312.33330978
-0.48811652
-1.29169244 -0.48811652
266.06643180
TOTAL STRESS TENSOR (kB): Step: 1047
157.68408674 0.30520058
2.08523375
0.30520058 247.99581187
-1.90807090
2.08523375 -1.90807090
194.56941673
TOTAL STRESS TENSOR (kB): Step: 1048
125.13262244 0.22775074
3.65098725
0.22775074 187.40102333
-1.43145147
3.65098725 -1.43145147
163.52246339
TOTAL STRESS TENSOR (kB): Step: 1049
175.45855122 -0.09660701
2.36927886
-0.09660701 169.23850336
0.40144489
2.36927886 0.40144489
189.53323382
TOTAL STRESS TENSOR (kB): Step: 1050
279.08916178 -0.32337745
-0.90264993
-0.32337745 206.93981557
1.91290044
-0.90264993 1.91290044
257.68382904
TOTAL STRESS TENSOR (kB): Step: 1051
368.58180324 -0.18083262
-3.65435771
-0.18083262 279.00093791
1.56540385
-3.65435771 1.56540385
324.92324146
TOTAL STRESS TENSOR (kB): Step: 1052
374.66571206 0.19433968
-3.36837962
0.19433968 333.37858078
-0.43805058
-3.36837962 -0.43805058
340.72408243
TOTAL STRESS TENSOR (kB): Step: 1053
290.98859998 0.35321571
-0.24494796
0.35321571 326.93348681
-2.00371757
-0.24494796 -2.00371757
291.53820052
TOTAL STRESS TENSOR (kB): Step: 1054
184.24103068 0.11167672
2.87452897
0.11167672 266.52618661
-1.53045450
2.87452897 -1.53045450
216.41403024
TOTAL STRESS TENSOR (kB): Step: 1055
128.29600024 -0.25083371
3.55749460
-0.25083371 197.73347779
0.38653495
3.55749460 0.38653495
167.87985255
TOTAL STRESS TENSOR (kB): Step: 1056
153.92546650 -0.35716089
1.48331246
-0.35716089 165.30996532
1.92641492
1.48331246 1.92641492
174.18960595
TOTAL STRESS TENSOR (kB): Step: 1057
244.97879003 -0.08028109
-1.85248005
-0.08028109 190.34210628
1.67248405
-1.85248005 1.67248405
231.78769859
TOTAL STRESS TENSOR (kB): Step: 1058
345.06461020 0.32658857
-3.88941192
0.32658857 260.22643211
-0.30201988
-3.88941192 -0.30201988
306.42895904
TOTAL STRESS TENSOR (kB): Step: 1059
380.78848711 0.40810283
-2.69436680
0.40810283 327.05698934
-2.14777701
-2.69436680 -2.14777701
344.59591992
TOTAL STRESS TENSOR (kB): Step: 1060
321.88644273 0.04036750
0.80496361
0.04036750 338.37062339
-1.88020175
0.80496361 -1.88020175
314.48611913
TOTAL STRESS TENSOR (kB): Step: 1061
216.12099228 -0.36326771
3.46973744
-0.36326771 286.36565596
0.22642733
3.46973744 0.22642733
240.21570466
TOTAL STRESS TENSOR (kB): Step: 1062
140.66269782 -0.38151162
3.24189801
-0.38151162 212.14783354
2.03329490
3.24189801 2.03329490
176.92273578
TOTAL STRESS TENSOR (kB): Step: 1063
140.09003902 -0.02206502
0.54029053
-0.02206502 165.67973724
1.92745864
0.54029053 1.92745864
164.11670286
TOTAL STRESS TENSOR (kB): Step: 1064
212.36752275 0.36726603
-2.64060706
0.36726603 175.88035377
0.01263804
-2.64060706 0.01263804
208.74498136
TOTAL STRESS TENSOR (kB): Step: 1065
314.60218552 0.39596647
-3.87266056
0.39596647 239.45113621
-2.07374010
-3.87266056 -2.07374010
285.22293030
TOTAL STRESS TENSOR (kB): Step: 1066
376.24226211 -0.00001376
-1.87640215
-0.00001376 315.48740028
-2.27148102
-1.87640215 -2.27148102
341.31243114
TOTAL STRESS TENSOR (kB): Step: 1067
347.43619034 -0.39494495
1.78650170
-0.39494495 345.75656868
-0.20943053
1.78650170 -0.20943053
331.81561054
TOTAL STRESS TENSOR (kB): Step: 1068
251.20443908 -0.35243091
3.84986410
-0.35243091 306.40032338
2.01848946
3.84986410 2.01848946
264.10450632
TOTAL STRESS TENSOR (kB): Step: 1069
160.93171881 0.03591166
2.74127618
0.03591166 229.97712940
2.24644562
2.74127618 2.24644562
191.03324627
TOTAL STRESS TENSOR (kB): Step: 1070
133.97490739 0.34704896
-0.40538245
0.34704896 170.29355500
0.43370030
-0.40538245 0.43370030
160.97069058
TOTAL STRESS TENSOR (kB): Step: 1071
183.30404687 0.29401261
-3.24355801
0.29401261 164.38723523
-1.76091616
-3.24355801 -1.76091616
190.30753465
TOTAL STRESS TENSOR (kB): Step: 1072
280.40074896 -0.06323696
-3.62974339
-0.06323696 218.20274286
-2.40017450
-3.62974339 -2.40017450
262.17121842
TOTAL STRESS TENSOR (kB): Step: 1073
362.27038602 -0.35212587
-0.96966287
-0.35212587 299.49518939
-0.73547636
-0.96966287 -0.73547636
329.99680212
TOTAL STRESS TENSOR (kB): Step: 1074
365.54523482 -0.24071049
2.65223889
-0.24071049 348.23496377
1.72081594
2.65223889 1.72081594
341.62596820
TOTAL STRESS TENSOR (kB): Step: 1075
286.34058958 0.12735107
4.00298407
0.12735107 325.08356670
2.45530169
4.00298407 2.45530169
287.13447294
TOTAL STRESS TENSOR (kB): Step: 1076
187.19197299 0.31469304
2.07956175
0.31469304 250.24927082
0.84930724
2.07956175 0.84930724
210.56856261
TOTAL STRESS TENSOR (kB): Step: 1077
135.71121129 0.14650395
-1.31846716
0.14650395 179.09597694
-1.39771892
-1.31846716 -1.39771892
165.28740744
TOTAL STRESS TENSOR (kB): Step: 1078
160.14740317 -0.16995767
-3.64532252
-0.16995767 156.75226772
-2.28574353
-3.64532252 -2.28574353
176.82698769
TOTAL STRESS TENSOR (kB): Step: 1079
246.02046048 -0.29872585
-3.18086199
-0.29872585 198.07271620
-1.05443421
-3.18086199 -1.05443421
237.96618491
TOTAL STRESS TENSOR (kB): Step: 1080
340.57823251 -0.07993878
-0.02262685
-0.07993878 280.13204604
1.26525409
-0.02262685 1.26525409
311.37517152
TOTAL STRESS TENSOR (kB): Step: 1081
374.12581689 0.25511379
3.35490949
0.25511379 345.07527720
2.41029681
3.35490949 2.41029681
343.80433595
TOTAL STRESS TENSOR (kB): Step: 1082
317.94676312 0.29767946
3.91620983
0.29767946 340.71366665
1.15777737
3.91620983 1.15777737
308.62141643
TOTAL STRESS TENSOR (kB): Step: 1083
217.43041342 -0.00227416
1.28629590
-0.00227416 271.89930671
-1.11358138
1.28629590 -1.11358138
234.70331441
TOTAL STRESS TENSOR (kB): Step: 1084
145.54979078 -0.29401944
-2.15405818
-0.29401944 192.07840459
-2.15486818
-2.15405818 -2.15486818
176.09419742
TOTAL STRESS TENSOR (kB): Step: 1085
144.88706748 -0.27066831
-3.82446262
-0.27066831 153.76153939
-1.15760194
-3.82446262 -1.15760194
167.94041195
TOTAL STRESS TENSOR (kB): Step: 1086
214.31068269 0.05556363
-2.54700665
0.05556363 180.40201173
0.92417129
-2.54700665 0.92417129
213.98579073
TOTAL STRESS TENSOR (kB): Step: 1087
312.83882725 0.36373300
0.91433000
0.36373300 258.50782391
2.19730037
0.91433000 2.19730037
287.86866236
TOTAL STRESS TENSOR (kB): Step: 1088
371.76679203 0.29029178
3.84716271
0.29029178 335.93289418
1.30907891
3.84716271 1.30907891
339.30910833
TOTAL STRESS TENSOR (kB): Step: 1089
343.00723874 -0.12008437
3.57496347
-0.12008437 351.81055254
-0.92006233
3.57496347 -0.92006233
327.17390019
TOTAL STRESS TENSOR (kB): Step: 1090
249.91173518 -0.40030625
0.38549237
-0.40030625 293.86182788
-2.14373061
0.38549237 -2.14373061
261.09308673
TOTAL STRESS TENSOR (kB): Step: 1091
163.58055412 -0.25361338
-2.87486200
-0.25361338 209.09247073
-1.23736170
-2.87486200 -1.23736170
191.64294492
TOTAL STRESS TENSOR (kB): Step: 1092
138.65571593 0.14622910
-3.76676388
0.14622910 155.81520926
0.77115259
-3.76676388 0.77115259
163.67686449
TOTAL STRESS TENSOR (kB): Step: 1093
187.14334738 0.40616339
-1.75526849
0.40616339 166.04843452
2.04487848
-1.75526849 2.04487848
192.57225239
TOTAL STRESS TENSOR (kB): Step: 1094
280.95572422 0.25492346
1.78783376
0.25492346 235.74777100
1.38164962
1.78783376 1.38164962
262.72042170
TOTAL STRESS TENSOR (kB): Step: 1095
358.57297845 -0.18838580
4.08757172
-0.18838580 321.13591244
-0.74560972
4.08757172 -0.74560972
329.15768352
TOTAL STRESS TENSOR (kB): Step: 1096
359.64769515 -0.44154267
2.98503586
-0.44154267 357.43654858
-2.21376841
2.98503586 -2.21376841
340.49973217
TOTAL STRESS TENSOR (kB): Step: 1097
282.80500062 -0.21414738
-0.56800746
-0.21414738 315.03514052
-1.44759341
-0.56800746 -1.44759341
286.58023622
TOTAL STRESS TENSOR (kB): Step: 1098
188.93541452 0.21541593
-3.41997418
0.21541593 229.61385504
0.67158232
-3.41997418 0.67158232
210.42962827
TOTAL STRESS TENSOR (kB): Step: 1099
141.32382501 0.39443446
-3.45817641
0.39443446 162.84125231
2.04973393
-3.45817641 2.04973393
164.84008510
TOTAL STRESS TENSOR (kB): Step: 1100
165.54193548 0.17056411
-0.85147069
0.17056411 155.52023535
1.50335064
-0.85147069 1.50335064
176.22042759
TOTAL STRESS TENSOR (kB): Step: 1101
247.30297969 -0.23337059
2.53184005
-0.23337059 213.13501364
-0.51665961
2.53184005 -0.51665961
238.51721734
TOTAL STRESS TENSOR (kB): Step: 1102
336.32874020 -0.40005580
4.04675243
-0.40005580 301.75482036
-2.19539889
4.04675243 -2.19539889
313.70773533
TOTAL STRESS TENSOR (kB): Step: 1103
367.08194770 -0.12317367
2.17872009
-0.12317367 357.17112801
-1.75021367
2.17872009 -1.75021367
346.13606612
TOTAL STRESS TENSOR (kB): Step: 1104
313.79230506 0.28228616
-1.50676671
0.28228616 334.06638029
0.45757461
-1.50676671 0.45757461
308.46651623
TOTAL STRESS TENSOR (kB): Step: 1105
219.61164715 0.35383437
-3.74485553
0.35383437 252.56932502
2.12807750
-3.74485553 2.12807750
231.81489543
TOTAL STRESS TENSOR (kB): Step: 1106
151.99706049 0.05145938
-2.91536532
0.05145938 174.41616630
1.72234300
-2.91536532 1.72234300
172.55439234
TOTAL STRESS TENSOR (kB): Step: 1107
150.43456427 -0.28683873
0.10092320
-0.28683873 149.23944167
-0.24865851
0.10092320 -0.24865851
166.54684682
TOTAL STRESS TENSOR (kB): Step: 1108
214.88672114 -0.31949769
3.08961683
-0.31949769 192.13752703
-2.03864009
3.08961683 -2.03864009
216.55665844
TOTAL STRESS TENSOR (kB): Step: 1109
308.00337124 0.00638219
3.72284685
0.00638219 279.38165383
-1.96347036
3.72284685 -1.96347036
293.20587944
TOTAL STRESS TENSOR (kB): Step: 1110
365.13105146 0.34840373
1.21398274
0.34840373 350.99305325
0.09836617
1.21398274 0.09836617
342.86915951
TOTAL STRESS TENSOR (kB): Step: 1111
339.87392532 0.29867956
-2.35332456
0.29867956 349.38167603
2.11049174
-2.35332456 2.11049174
325.34229644
TOTAL STRESS TENSOR (kB): Step: 1112
252.66798211 -0.08053257
-3.80768637
-0.08053257 276.46506812
2.00292831
-3.80768637 2.00292831
255.49435967
TOTAL STRESS TENSOR (kB): Step: 1113
169.50745299 -0.35125555
-2.15909927
-0.35125555 189.97617869
0.04122842
-2.15909927 0.04122842
187.08230726
TOTAL STRESS TENSOR (kB): Step: 1114
142.84894016 -0.24336397
1.04334251
-0.24336397 147.64085947
-1.85198414
1.04334251 -1.85198414
163.61187273
TOTAL STRESS TENSOR (kB): Step: 1115
186.69248696 0.12759579
3.42409849
0.12759579 174.17589819
-2.03047261
3.42409849 -2.03047261
197.15885569
TOTAL STRESS TENSOR (kB): Step: 1116
276.65829671 0.38927530
3.14438031
0.38927530 255.71383837
-0.25990308
3.14438031 -0.25990308
268.68361186
TOTAL STRESS TENSOR (kB): Step: 1117
353.87671811 0.23272606
0.17071017
0.23272606 339.19173375
1.89891136
0.17071017 1.89891136
331.43842838
TOTAL STRESS TENSOR (kB): Step: 1118
358.00171870 -0.19833655
-3.03781174
-0.19833655 359.48405993
2.22119446
-3.03781174 2.22119446
336.86310728
TOTAL STRESS TENSOR (kB): Step: 1119
285.11339166 -0.40714940
-3.60358613
-0.40714940 299.70500204
0.35775414
-3.60358613 0.35775414
280.53069768
TOTAL STRESS TENSOR (kB): Step: 1120
192.96529447 -0.17571276
-1.25137997
-0.17571276 208.95932194
-1.71173100
-1.25137997 -1.71173100
207.24456596
TOTAL STRESS TENSOR (kB): Step: 1121
143.84316559 0.22352462
1.90145298
0.22352462 151.08140713
-2.07260149
1.90145298 -2.07260149
166.43941591
TOTAL STRESS TENSOR (kB): Step: 1122
165.06380539 0.39140565
3.51646394
0.39140565 160.30424603
-0.51577024
3.51646394 -0.51577024
180.76579516
TOTAL STRESS TENSOR (kB): Step: 1123
244.82671827 0.15283525
2.37087413
0.15283525 232.16880530
1.59669373
2.37087413 1.59669373
242.49584816
TOTAL STRESS TENSOR (kB): Step: 1124
333.88386728 -0.27355010
-0.85808600
-0.27355010 322.32805686
2.27228568
-0.85808600 2.27228568
314.12174881
TOTAL STRESS TENSOR (kB): Step: 1125
366.00724676 -0.41586256
-3.50534241
-0.41586256 363.31096397
0.67953343
-3.50534241 0.67953343
342.85669487
TOTAL STRESS TENSOR (kB): Step: 1126
314.42820422 -0.10033895
-3.15013741
-0.10033895 320.85362238
-1.57731706
-3.15013741 -1.57731706
304.72062070
TOTAL STRESS TENSOR (kB): Step: 1127
221.43527412 0.29991736
-0.25584412
0.29991736 230.77126384
-2.18888057
-0.25584412 -2.18888057
230.70323115
TOTAL STRESS TENSOR (kB): Step: 1128
153.76206091 0.36256882
2.62603524
0.36256882 159.67606956
-0.73102038
2.62603524 -0.73102038
174.00899694
TOTAL STRESS TENSOR (kB): Step: 1129
151.10477700 0.05476825
3.37755146
0.05476825 151.09435846
1.34688674
3.37755146 1.34688674
168.54579100
TOTAL STRESS TENSOR (kB): Step: 1130
214.33624352 -0.31373670
1.46875227
-0.31373670 209.86182757
2.20479261
1.46875227 2.20479261
217.66770211
TOTAL STRESS TENSOR (kB): Step: 1131
306.58506952 -0.35889454
-1.80258433
-0.35889454 301.38958553
0.94733892
-1.80258433 0.94733892
293.35168018
TOTAL STRESS TENSOR (kB): Step: 1132
363.28609389 -0.00118451
-3.73772919
-0.00118451 360.53576024
-1.35310774
-3.73772919 -1.35310774
342.55397279
TOTAL STRESS TENSOR (kB): Step: 1133
338.71467294 0.35856324
-2.49108980
0.35856324 338.68610863
-2.32215475
-2.49108980 -2.32215475
324.95425367
TOTAL STRESS TENSOR (kB): Step: 1134
253.47884229 0.30989079
0.76097012
0.30989079 254.51781065
-0.99042357
0.76097012 -0.99042357
255.00418495
TOTAL STRESS TENSOR (kB): Step: 1135
171.93751339 -0.05865684
3.18198224
-0.05865684 173.07458389
1.17201022
3.18198224 1.17201022
186.07414057
TOTAL STRESS TENSOR (kB): Step: 1136
144.99735947 -0.34518429
3.03194935
-0.34518429 146.68130297
2.15264742
3.03194935 2.15264742
162.23546545
TOTAL STRESS TENSOR (kB): Step: 1137
186.88811955 -0.26670748
0.50349007
-0.26670748 189.76994782
1.13033444
0.50349007 1.13033444
196.83916488
TOTAL STRESS TENSOR (kB): Step: 1138
274.59876019 0.11249958
-2.60867021
0.11249958 277.86502030
-1.05598891
-2.60867021 -1.05598891
270.81882941
TOTAL STRESS TENSOR (kB): Step: 1139
350.79369178 0.39341141
-3.73426875
0.39341141 351.60124866
-2.33514161
-3.73426875 -2.33514161
334.95019443
TOTAL STRESS TENSOR (kB): Step: 1140
356.29900469 0.23556033
-1.67527702
0.23556033 352.12435759
-1.28664045
-1.67527702 -1.28664045
338.48309242
TOTAL STRESS TENSOR (kB): Step: 1141
286.60762321 -0.18018722
1.74487065
-0.18018722 278.86710057
1.00086531
1.74487065 1.00086531
278.46835507
TOTAL STRESS TENSOR (kB): Step: 1142
196.61790496 -0.37953255
3.55464335
-0.37953255 190.51106518
2.18979511
3.55464335 2.18979511
202.95958436
TOTAL STRESS TENSOR (kB): Step: 1143
146.44971669 -0.17428682
2.51342043
-0.17428682 147.02037108
1.29375876
2.51342043 1.29375876
163.09883089
TOTAL STRESS TENSOR (kB): Step: 1144
164.31062462 0.21527152
-0.47201042
0.21527152 172.86104315
-0.79087362
-0.47201042 -0.79087362
181.23727578
TOTAL STRESS TENSOR (kB): Step: 1145
241.24873219 0.39769671
-3.24604583
0.39769671 253.50406710
-2.21535806
-3.24604583 -2.21535806
247.28787568
TOTAL STRESS TENSOR (kB): Step: 1146
330.35911195 0.14971129
-3.51069407
0.14971129 337.42290134
-1.52338375
-3.51069407 -1.52338375
319.73186183
TOTAL STRESS TENSOR (kB): Step: 1147
365.50041540 -0.28487257
-0.75322346
-0.28487257 360.17177634
0.75977525
-0.75322346 0.75977525
344.04633449
TOTAL STRESS TENSOR (kB): Step: 1148
317.55918657 -0.40564257
2.64621188
-0.40564257 302.12213779
2.27095136
2.64621188 2.27095136
300.28277700
TOTAL STRESS TENSOR (kB): Step: 1149
225.65672424 -0.09126018
3.72559207
-0.09126018 210.97017100
1.52489510
3.72559207 1.52489510
224.67943899
TOTAL STRESS TENSOR (kB): Step: 1150
155.39636685 0.29702455
1.84016717
0.29702455 152.05547334
-0.58260223
1.84016717 -0.58260223
171.14400090
TOTAL STRESS TENSOR (kB): Step: 1151
148.63450931 0.37434846
-1.42017866
0.37434846 160.05295357
-2.09763814
-1.42017866 -2.09763814
170.81970729
TOTAL STRESS TENSOR (kB): Step: 1152
209.83000513 0.06350098
-3.68627396
0.06350098 229.98716064
-1.66993779
-3.68627396 -1.66993779
223.52755562
TOTAL STRESS TENSOR (kB): Step: 1153
303.98045296 -0.33886814
-3.07150884
-0.33886814 319.11662330
0.45380201
-3.07150884 0.45380201
298.23646975
TOTAL STRESS TENSOR (kB): Step: 1154
364.81350960 -0.38767795
0.23636070
-0.38767795 362.03696059
2.26555801
0.23636070 2.26555801
342.08732917
TOTAL STRESS TENSOR (kB): Step: 1155
342.98028721 -0.01120887
3.41929815
-0.01120887 322.51729110
1.83182352
3.41929815 1.83182352
319.71404327
TOTAL STRESS TENSOR (kB): Step: 1156
256.96114724 0.35329050
3.67871424
0.35329050 233.40565241
-0.35113922
3.67871424 -0.35113922
249.98402733
TOTAL STRESS TENSOR (kB): Step: 1157
171.85850743 0.32595531
1.03944769
0.32595531 161.78866475
-2.06380998
1.03944769 -2.06380998
185.05263494
TOTAL STRESS TENSOR (kB): Step: 1158
141.38242190 -0.02668813
-2.29311325
-0.02668813 152.09698371
-1.81718927
-2.29311325 -1.81718927
165.10869432
TOTAL STRESS TENSOR (kB): Step: 1159
182.70228680 -0.34692040
-3.90410832
-0.34692040 208.64276714
0.13411663
-3.90410832 0.13411663
201.01903179
TOTAL STRESS TENSOR (kB): Step: 1160
273.47352313 -0.30556518
-2.44416333
-0.30556518 297.81764794
2.09227001
-2.44416333 2.09227001
273.19991438
TOTAL STRESS TENSOR (kB): Step: 1161
353.60301925 0.07800358
1.22342502
0.07800358 357.37307225
2.09556021
1.22342502 2.09556021
333.83944923
TOTAL STRESS TENSOR (kB): Step: 1162
360.38000558 0.37379572
3.99797109
0.37379572 338.56958279
-0.00259138
3.99797109 -0.00259138
335.27787446
TOTAL STRESS TENSOR (kB): Step: 1163
288.75085964 0.24444370
3.39727185
0.24444370 256.76681309
-2.02902520
3.39727185 -2.02902520
276.26895030
TOTAL STRESS TENSOR (kB): Step: 1164
195.58454775 -0.13010462
0.14722858
-0.13010462 176.02464682
-2.02405739
0.14722858 -2.02405739
202.99731353
TOTAL STRESS TENSOR (kB): Step: 1165
143.18549142 -0.33929284
-3.04150181
-0.33929284 149.30562014
-0.17715748
-3.04150181 -0.17715748
164.18800936
TOTAL STRESS TENSOR (kB): Step: 1166
161.24918670 -0.18429866
-3.88374694
-0.18429866 190.33044013
1.81736074
-3.88374694 1.81736074
182.07852951
TOTAL STRESS TENSOR (kB): Step: 1167
240.78741135 0.18033074
-1.66477749
0.18033074 274.77671975
2.17346228
-1.66477749 2.17346228
247.80632948
TOTAL STRESS TENSOR (kB): Step: 1168
332.71239591 0.36214495
2.14281408
0.36214495 346.62335883
0.39835575
2.14281408 0.39835575
320.37278273
TOTAL STRESS TENSOR (kB): Step: 1169
368.48054176 0.12880479
4.33647230
0.12880479 349.36176509
-1.84058977
4.33647230 -1.84058977
344.72547269
TOTAL STRESS TENSOR (kB): Step: 1170
319.11897491 -0.25120244
2.89195198
-0.25120244 279.91207189
-2.22023293
2.89195198 -2.22023293
300.38931106
TOTAL STRESS TENSOR (kB): Step: 1171
225.30617731 -0.33744023
-0.77934919
-0.33744023 194.16969293
-0.48239875
-0.77934919 -0.48239875
223.56658220
TOTAL STRESS TENSOR (kB): Step: 1172
153.49671675 -0.05898465
-3.61251459
-0.05898465 151.56754846
1.56401171
-3.61251459 1.56401171
168.88223723
TOTAL STRESS TENSOR (kB): Step: 1173
146.13377495 0.28430129
-3.62487027
0.28430129 175.61812135
2.10925736
-3.62487027 2.10925736
168.94687093
TOTAL STRESS TENSOR (kB): Step: 1174
208.26872521 0.33935012
-0.79183649
0.33935012 251.39338918
0.67664378
-0.79183649 0.67664378
224.31830587
TOTAL STRESS TENSOR (kB): Step: 1175
304.48870830 0.01173069
2.91865346
0.01173069 330.89753584
-1.50622862
2.91865346 -1.50622862
302.08904873
TOTAL STRESS TENSOR (kB): Step: 1176
367.06651225 -0.36452547
4.39875124
-0.36452547 354.41659656
-2.26186750
4.39875124 -2.26186750
345.95455084
TOTAL STRESS TENSOR (kB): Step: 1177
345.69181233 -0.34480274
2.19301872
-0.34480274 301.43595549
-0.75097203
2.19301872 -0.75097203
319.93418737
TOTAL STRESS TENSOR (kB): Step: 1178
258.66051103 0.04751421
-1.67559386
0.04751421 215.12760036
1.38702131
-1.67559386 1.38702131
246.18175622
TOTAL STRESS TENSOR (kB): Step: 1179
171.17134289 0.37453902
-3.96919258
0.37453902 158.45146633
2.06255282
-3.96919258 2.06255282
180.11016735
TOTAL STRESS TENSOR (kB): Step: 1180
138.09733000 0.31503417
-3.15313254
0.31503417 164.95183916
0.80202368
-3.15313254 0.80202368
162.81385008
TOTAL STRESS TENSOR (kB): Step: 1181
178.79350030 -0.07401405
0.10718916
-0.07401405 229.17107247
-1.22700328
0.10718916 -1.22700328
203.71269228
TOTAL STRESS TENSOR (kB): Step: 1182
272.13273843 -0.41829584
3.49684437
-0.41829584 311.76341068
-2.15545799
3.49684437 -2.15545799
279.44613698
TOTAL STRESS TENSOR (kB): Step: 1183
356.40639773 -0.33072392
4.18661517
-0.33072392 353.64831001
-0.93247653
4.18661517 -0.93247653
338.34914368
TOTAL STRESS TENSOR (kB): Step: 1184
365.55237930 0.12119114
1.35657792
0.12119114 319.75729818
1.26992387
1.35657792 1.26992387
333.83769908
TOTAL STRESS TENSOR (kB): Step: 1185
292.51908235 0.42748171
-2.47542538
0.42748171 237.45590801
2.13604527
-2.47542538 2.13604527
270.40947536
TOTAL STRESS TENSOR (kB): Step: 1186
194.92398225 0.27708237
-4.08639140
0.27708237 169.45831779
0.91061079
-4.08639140 0.91061079
197.76948365
TOTAL STRESS TENSOR (kB): Step: 1187
138.01333473 -0.13646569
-2.49915801
-0.13646569 158.83260755
-1.10754154
-2.49915801 -1.10754154
163.39123328
TOTAL STRESS TENSOR (kB): Step: 1188
155.05238981 -0.40301623
0.97615567
-0.40301623 209.55275651
-2.08835994
0.97615567 -2.08835994
186.18194317
TOTAL STRESS TENSOR (kB): Step: 1189
238.66604265 -0.25784459
3.84444689
-0.25784459 290.82026632
-1.06745680
3.84444689 -1.06745680
253.74933858
TOTAL STRESS TENSOR (kB): Step: 1190
337.02417053 0.17048205
3.71749838
0.17048205 347.19140241
1.14058135
3.71749838 1.14058135
323.16273639
TOTAL STRESS TENSOR (kB): Step: 1191
376.00616178 0.41220229
0.43660384
0.41220229 333.33594039
2.30059599
0.43660384 2.30059599
341.94985349
TOTAL STRESS TENSOR (kB): Step: 1192
323.86882640 0.19659466
-3.13039233
0.19659466 259.62783029
1.15506525
-3.13039233 1.15506525
295.03685960
TOTAL STRESS TENSOR (kB): Step: 1193
223.73139327 -0.20056779
-3.96044936
-0.20056779 184.09135016
-1.04628468
-3.96044936 -1.04628468
220.32628635
TOTAL STRESS TENSOR (kB): Step: 1194
146.72237204 -0.35083277
-1.70674496
-0.35083277 157.62853797
-2.17334207
-1.70674496 -2.17334207
169.54526355
TOTAL STRESS TENSOR (kB): Step: 1195
139.01506086 -0.13016596
1.76345999
-0.13016596 193.55953945
-1.26993800
1.76345999 -1.26993800
172.20927145
TOTAL STRESS TENSOR (kB): Step: 1196
206.44763145 0.22890050
3.95112521
0.22890050 269.41672630
0.91239680
3.95112521 0.91239680
227.56654377
TOTAL STRESS TENSOR (kB): Step: 1197
309.91054041 0.34174038
3.03582866
0.34174038 335.56733217
2.38418137
3.03582866 2.38418137
302.98587292
TOTAL STRESS TENSOR (kB): Step: 1198
375.43312006 0.05988681
-0.49817341
0.05988681 341.18815219
1.54297063
-0.49817341 1.54297063
344.17689654
TOTAL STRESS TENSOR (kB): Step: 1199
350.26400206 -0.28875982
-3.59374383
-0.28875982 280.31423775
-0.84398606
-3.59374383 -0.84398606
317.58282991
TOTAL STRESS TENSOR (kB): Step: 1200
256.42019634 -0.29669454
-3.59658876
-0.29669454 201.75574043
-2.32796797
-3.59658876 -2.32796797
245.18168999
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