JobServer Home Summary Jobs Administration Documentation http://amd-3 -- v3.8.1  2024-11-17 08:41:45 
****************************************************************************************************
     Results at       1971 MD step.
====================================================================================================
     Total energies (eV)
----------------------------------------------------------------------------------------------------
       -91.683473   -91.655909
       -91.397110   -91.342993
       -92.411446   -92.385361
       -93.026772   -92.991323
       -94.233382   -94.207743
       -95.758731   -95.749300
       -96.777468   -96.755114
       -97.891925   -97.871886
       -98.463951   -98.428259
       -98.839732   -98.806724
       -99.276725   -99.259225
       -97.659967   -97.571603
       -98.151377   -98.088162
       -99.599863   -99.584798
      -100.740083  -100.756069
      -100.812536  -100.825164
      -100.116162  -100.097325
      -100.824896  -100.822741
      -100.710173  -100.683551
      -101.304899  -101.301363
      -100.997453  -101.010585
      -100.719306  -100.736727
      -100.449429  -100.473808
      -100.881609  -100.888658
      -100.782756  -100.765990
      -101.020312  -101.022615
      -101.259469  -101.267710
      -101.316949  -101.297746
      -100.948350  -100.908909
      -101.386440  -101.350947
      -100.515390  -100.468127
      -100.849301  -100.807222
      -101.018712  -101.007937
      -101.608514  -101.572763
      -101.081578  -101.076085
      -100.639414  -100.593539
      -100.724625  -100.708691
      -100.581166  -100.556153
      -100.586071  -100.593489
      -101.023734  -101.018578
      -100.898548  -100.897740
      -101.521561  -101.516833
      -101.144676  -101.125394
      -100.969219  -100.998678
      -101.407722  -101.394553
      -101.229897  -101.212023
      -101.303966  -101.291804
      -100.802602  -100.781539
      -101.144805  -101.151213
      -100.448761  -100.466706
      -100.989788  -101.022670
      -101.266563  -101.280930
      -100.544930  -100.540946
      -100.949135  -100.932255
      -100.922211  -100.921451
      -100.779098  -100.758353
      -100.807123  -100.833722
      -100.831044  -100.822432
      -100.920347  -100.921491
      -100.949045  -100.967973
      -100.893212  -100.938531
      -100.969405  -100.925689
      -100.728247  -100.697721
      -100.968553  -100.935469
      -101.073487  -101.021843
      -100.757591  -100.794335
      -100.243443  -100.265743
      -101.017327  -101.039248
      -100.654357  -100.700677
      -100.955950  -101.002785
      -101.157543  -101.154933
      -101.055523  -101.046683
      -100.807034  -100.751793
      -100.757743  -100.726622
      -101.019706  -100.961246
      -100.775469  -100.726154
      -100.951995  -100.923363
      -100.979121  -100.958140
      -100.907604  -100.927425
      -101.190976  -101.184682
      -100.883703  -100.857089
      -100.893116  -100.903543
      -100.834953  -100.825006
      -100.861201  -100.898371
      -100.922378  -100.910581
      -100.898459  -100.924310
      -100.909203  -100.945335
      -101.254141  -101.292822
      -101.152090  -101.194006
      -100.598089  -100.682992
      -810.412413  -810.486314
      -810.734950  -810.808527
      -811.355453  -811.425774
      -811.867499  -811.939649
      -811.699847  -811.767977
      -811.548144  -811.615444
      -811.144876  -811.201545
      -811.089659  -811.141916
      -810.638969  -810.685166
      -810.592246  -810.629803
      -810.104405  -810.152490
      -810.464183  -810.570781
      -811.029831  -811.091589
      -811.559646  -811.637603
      -810.893681  -810.924246
      -811.954623  -811.946039
      -810.142589  -810.059989
      -810.233053  -810.220608
      -810.313238  -810.302002
      -809.131790  -809.172132
      -809.841738  -809.843410
      -809.687705  -809.672393
      -811.287601  -811.306789
      -809.643749  -809.680873
      -810.010544  -810.067094
      -809.744725  -809.745950
      -810.284205  -810.287594
      -810.890023  -810.905332
      -811.547304  -811.600524
      -811.737158  -811.775625
      -811.200607  -811.316872
      -810.608784  -810.597641
      -811.241421  -811.341133
      -811.096803  -811.153879
      -811.699595  -811.816098
      -811.681176  -811.803040
      -809.002361  -809.083181
      -810.319938  -810.369988
      -810.614093  -810.654775
      -810.685720  -810.650149
      -811.960792  -812.030087
      -811.187712  -811.284687
      -811.508067  -811.581604
      -811.284898  -811.300058
      -810.700986  -810.708636
      -810.629598  -810.606995
      -809.878324  -809.876574
      -809.920957  -809.883526
      -810.489245  -810.430180
      -810.772130  -810.763009
      -810.661250  -810.651928
      -809.813455  -809.740238
      -809.864384  -809.861413
      -809.818761  -809.812250
      -810.527584  -810.505447
      -811.018842  -811.060379
      -810.327938  -810.372561
      -810.324590  -810.352074
      -811.109449  -811.171460
      -812.363361  -812.386963
      -810.359471  -810.404158
      -810.891712  -810.941220
      -810.515449  -810.566606
      -811.197790  -811.188494
      -810.562009  -810.635740
      -811.419107  -811.487422
      -810.877532  -810.919210
      -810.597210  -810.622555
      -810.870904  -810.916461
      -811.711512  -811.739510
      -809.971399  -810.001064
      -811.124810  -811.169549
      -811.222845  -811.211812
      -810.028344  -810.018134
      -811.223790  -811.267292
      -810.984593  -811.054322
      -810.856996  -810.910043
      -810.506810  -810.508376
      -811.284979  -811.339170
      -810.718215  -810.782943
      -810.915702  -811.021689
      -810.935042  -810.992663
      -810.599183  -810.653417
      -810.344665  -810.329035
      -811.961532  -811.971363
      -811.753312  -811.846200
      -812.281228  -812.344740
      -811.249805  -811.261790
      -810.302640  -810.326700
      -809.939252  -809.901619
      -809.571258  -809.532041
      -810.616465  -810.634593
      -810.347369  -810.371637
      -810.259579  -810.396274
      -810.895873  -810.977739
      -810.750113  -810.836271
      -809.951731  -810.022385
      -811.106545  -811.206217
      -810.672244  -810.775761
      -810.214138  -810.295588
      -811.430296  -811.549292
      -810.110710  -810.205867
      -809.489164  -809.572845
      -810.865568  -810.887518
      -811.080755  -811.156710
      -810.407737  -810.438216
      -810.837816  -810.827515
      -811.562340  -811.576578
      -811.348561  -811.376801
      -811.422441  -811.400737
      -810.739540  -810.834887
      -810.005014  -810.108135
      -810.218850  -810.309227
      -810.540694  -810.644642
      -810.052554  -809.976730
      -810.838589  -810.862158
      -810.603951  -810.685540
      -809.740063  -809.874832
      -810.181062  -810.303781
      -810.986319  -811.131206
      -811.364841  -811.400760
      -810.854666  -810.964567
      -810.637637  -810.806576
      -809.886720  -810.048723
      -810.463776  -810.724396
      -809.387731  -809.588950
      -810.810642  -810.940953
      -809.592100  -809.698298
      -810.246898  -810.377387
      -810.921111  -811.008066
      -811.360014  -811.413337
      -810.553733  -810.602663
      -810.599856  -810.607051
      -811.349685  -811.376025
      -810.070839  -810.125967
      -810.650906  -810.611963
      -810.296229  -810.355724
      -810.810000  -810.884861
      -811.108792  -811.118794
      -810.963311  -810.991738
      -811.141519  -811.153940
      -811.107293  -811.079683
      -811.487967  -811.517404
      -810.159888  -810.188465
      -810.509716  -810.521336
      -810.212850  -810.247205
      -810.557215  -810.594893
      -810.245171  -810.313705
      -811.158363  -811.208571
      -810.769497  -810.853627
      -810.877976  -810.913572
      -811.624911  -811.616750
====================================================================================================
     Forces (eV ang.^-1)
----------------------------------------------------------------------------------------------------
        -0.056860    -0.006419
         0.257485     0.178630
        -0.801341    -0.870690
         0.064002     0.106854
        -0.290822    -0.111368
        -0.408151    -0.319181
        -1.235051    -1.124809
         0.644499     0.504529
        -0.957491    -0.969656
         1.096902     1.116080
         1.024449     0.912616
         0.642182     0.650550
        -2.886464    -2.901007
        -4.242746    -4.209898
        -4.793946    -4.793623
        -2.832989    -2.849811
         1.256573     1.394460
         3.690614     3.653777
         2.849620     2.813442
        -2.415848    -2.463702
         2.809609     2.785382
         3.565758     3.479035
         2.168869     2.086316
        -2.889148    -2.888274
         2.437716     2.406773
        -3.693026    -3.657274
         0.441191     0.514086
        -2.451802    -2.492453
        -4.070174    -3.993958
        -1.081390    -1.099992
        -2.196289    -2.184413
         4.460211     4.546660
         1.002168     0.961686
         1.261199     1.273637
         4.540798     4.610476
         1.246268     1.297994
         0.612103     0.666467
         0.680986     0.595776
         0.889820     0.880853
        -0.240644    -0.303375
        -0.316312    -0.393262
         0.204118     0.197089
        -0.087568    -0.017450
         0.245788     0.319392
        -0.557188    -0.656877
         0.253918     0.272148
        -0.198539    -0.051166
        -0.354119    -0.264037
        -1.056466    -1.043138
         0.563340     0.398996
        -1.029237    -0.958359
         1.240539     1.258459
         0.881168     0.762478
         0.725268     0.743980
        -2.968194    -2.999002
        -4.321552    -4.356617
        -4.883100    -4.886679
        -3.127773    -3.182434
         1.327088     1.392840
         3.654939     3.674243
         2.830461     2.800940
        -2.317287    -2.305709
         2.654692     2.641609
         3.489917     3.435671
         2.133684     2.138548
        -2.997521    -2.977971
         2.277716     2.292481
        -3.638455    -3.614915
         0.589148     0.623215
        -2.522862    -2.585576
        -4.031858    -4.007858
        -1.085858    -1.086123
        -1.982004    -1.914032
         4.223678     4.262670
         1.094403     1.100534
         0.979723     0.973826
         9.678982     9.503359
         3.601343     3.438478
         2.327393     2.378884
        -3.437080    -3.407903
        -3.432700    -3.379186
        -1.664423    -1.670777
        -1.099239    -1.034115
         2.010620     1.987171
        -0.310083    -0.270047
         0.486047     0.454372
        -0.840804    -0.829347
         0.273265     0.285456
        -0.189109    -0.113116
        -0.207420    -0.159906
        -0.839106    -0.835086
        -0.066362    -0.076821
        -0.886064    -0.894839
         1.397269     1.402927
         0.833775     0.775403
         0.828855     0.798069
        -2.890974    -2.878501
        -4.176627    -4.157827
        -4.828158    -4.822100
        -3.237731    -3.287015
         1.325373     1.326592
         3.603188     3.633655
         2.688249     2.687524
        -2.196751    -2.188557
         2.409803     2.419025
         3.379446     3.337083
         2.103901     2.129514
        -2.992202    -2.985359
         2.036957     2.055258
        -3.482308    -3.438325
         0.600769     0.627857
        -2.510708    -2.551522
        -3.877985    -3.828159
        -0.994807    -1.009727
        -1.702684    -1.686761
         3.969682     3.964490
         1.111310     1.052735
         1.543323     1.555525
         4.546438     4.586542
         0.748413     0.797645
         0.586305     0.597924
         1.043290     0.905051
         0.784702     0.775807
        -0.424676    -0.412764
        -0.309361    -0.339159
         0.656586     0.596486
        -0.456990    -0.438771
         0.620413     0.500213
        -1.046634    -0.860554
         0.221483     0.231090
        -0.193623    -0.161653
        -0.087661    -0.056145
        -0.483388    -0.536647
        -0.593459    -0.413903
        -0.685098    -0.833127
         1.427492     1.513579
         0.733965     0.751631
         0.847641     0.882856
        -2.715329    -2.714438
        -3.642829    -3.666058
        -4.692203    -4.646445
        -3.178914    -3.167777
         1.344896     1.308992
         3.472043     3.467188
         2.491292     2.541972
        -2.050011    -2.067375
         2.045537     2.123032
         3.222948     3.187249
         1.983023     2.033952
        -2.958678    -2.989559
         1.706226     1.726779
        -3.240425    -3.224590
         0.640159     0.652128
        -2.578718    -2.588764
        -3.546107    -3.472719
        -0.853388    -0.905603
        -1.360145    -1.402654
         3.602254     3.542258
         1.144985     1.043833
         0.818913     0.858096
         1.541760     1.385734
         0.530568     0.534439
        -0.189962    -0.244674
         2.576914     2.638572
         2.584166     2.517825
         1.061011     1.034960
         0.868096     0.844945
        -0.943726    -0.929868
        -0.409352    -0.476905
         0.403249     0.318851
        -0.969281    -0.903142
         0.145308     0.130056
        -0.045632    -0.046467
        -0.021694    -0.015640
        -0.012705    -0.039274
        -0.542549    -0.467324
        -0.871378    -0.915150
         1.470004     1.529427
         0.544112     0.573757
         1.106077     1.116311
        -2.567022    -2.553796
        -2.908079    -2.993251
        -4.316294    -4.386517
        -3.015644    -3.001392
         1.422404     1.365594
         3.178329     3.181016
         2.284411     2.353601
        -1.875051    -1.916677
         1.729105     1.802706
         2.997657     3.009122
         1.810683     1.899760
        -2.968470    -2.995462
         1.332386     1.318357
        -3.052718    -3.032490
         0.710151     0.697127
        -2.693503    -2.703204
        -3.147974    -3.113283
        -0.575936    -0.587963
        -1.083644    -1.134427
         3.111958     3.033048
         1.118234     1.045793
         0.418461     0.420061
         0.668669     0.640569
         1.212109     1.186722
        -0.237855    -0.240622
         2.176087     2.305776
         2.016044     2.087907
         1.369115     1.388995
         1.441906     1.432138
        -1.348128    -1.313707
        -0.320895    -0.389271
        -0.264927    -0.156632
        -0.686913    -0.712800
         0.055914     0.032696
         0.021313     0.034300
        -0.215870    -0.266341
         0.592724     0.531785
        -0.001210    -0.115634
        -0.958868    -0.894650
         1.839990     1.819477
         0.583387     0.626951
         1.595123     1.592471
        -2.359565    -2.291017
        -2.075484    -2.056916
        -3.942671    -3.959047
        -2.903474    -2.868920
         1.670817     1.613606
         2.685131     2.750490
         2.019091     2.038485
        -1.606607    -1.623073
         1.379789     1.368611
         2.733914     2.801616
         1.630958     1.695600
        -2.865663    -2.901480
         0.845150     0.843683
        -2.965613    -2.976457
         0.782106     0.741809
        -2.840480    -2.837514
        -2.598965    -2.619821
        -0.122674    -0.092135
        -0.676991    -0.721929
         2.523109     2.445492
         1.110277     1.115923
        -0.602954    -0.610461
         2.660624     2.827170
         2.847267     2.894975
         0.917316     0.921992
        -0.667934    -0.773948
        -0.863498    -0.921043
         0.718508     0.729380
         1.092904     1.079363
        -0.743186    -0.716783
        -0.246048    -0.233168
        -0.785822    -0.633888
        -0.688306    -0.576662
        -0.261858    -0.258234
         0.114584     0.112611
        -0.485816    -0.527595
         1.115434     1.094409
        -0.025340    -0.032325
        -0.930742    -0.887947
         1.976136     1.962248
         0.500469     0.620048
         2.005472     2.001674
        -1.919533    -1.913419
        -1.211883    -1.224431
        -3.526842    -3.524177
        -2.639796    -2.610114
         1.929654     1.890283
         2.137949     2.204388
         1.648043     1.610258
        -1.176847    -1.174693
         0.982618     0.923755
         2.533773     2.584830
         1.446806     1.444459
        -2.665679    -2.727863
         0.170933     0.116736
        -2.767967    -2.837773
         0.945332     0.922291
        -2.962779    -2.937028
        -2.071091    -2.115147
         0.367381     0.365381
        -0.080436    -0.140952
         1.911556     1.854146
         1.163729     1.178594
        -0.757868    -0.717520
         4.986522     5.077637
         2.839668     2.812309
         2.107211     2.119114
        -2.718869    -2.817367
        -2.944119    -3.019250
        -0.658291    -0.677162
        -0.130534    -0.163559
         0.796055     0.855102
        -0.090108    -0.086310
        -1.323823    -1.283977
        -0.852931    -0.787534
        -0.610161    -0.609497
         0.286212     0.254033
        -0.660150    -0.743343
         1.271157     1.297624
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====================================================================================================
     Stress (kbar)
----------------------------------------------------------------------------------------------------
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JobServer Home Summary Jobs Administration Documentation http://amd-3 -- v3.8.1  2024-11-17 08:41:45