64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=280.8658877067006 stress="-0.0023433068927391615 0.0002108775025892743 -8.743363942695503e-05 0.0002108775025892743 -0.003232107380221169 -0.0012495469351342047 -8.743363942695503e-05 -0.0012495469351342047 -0.00231392282305575" free_energy=280.8658877067006 pbc="F F F" Ni 35.58206287 35.29182890 34.97773363 -1.21547836 -3.08313015 -1.03627053 Ni 36.26011824 36.97305536 35.92458106 -86.22573339 -9.18099568 104.07131151 Ni 37.11124048 37.07573285 34.91764945 92.43135983 11.76585584 -108.24251401 Ni 38.58720059 38.50596765 36.68038552 11.92841052 -30.72232673 -13.40653482 Ni 38.34155469 34.72644972 37.50741549 -24.78055533 -109.44234501 -80.65713654 Ni 38.57871237 35.77976704 38.28184504 22.93174441 110.17010243 76.59678253 Ni 35.23711792 37.25879486 37.52082552 -20.18018581 -29.80087080 -31.62561668 Ni 35.72567008 38.18209653 38.64849951 17.05217632 29.72510358 37.09489434 Ni 40.04081313 34.74985900 34.73473540 -0.40979423 0.44585782 0.34303979 Ni 41.56577595 35.93004318 36.31215363 -26.02795928 19.09778737 -12.40105296 Ni 42.12331556 37.02032794 34.88728443 2.44618653 5.49356551 -6.04723112 Ni 44.02555531 38.89213646 36.11342366 -0.80327321 -0.07010572 0.34961599 Ni 42.54163954 34.93171700 37.08004603 23.55947711 -24.09236111 19.04846796 Ni 43.64045806 36.51013060 39.02202866 9.14668520 -10.89028335 -3.33605819 Ni 40.17724172 37.31996430 37.49865520 1.29644880 0.43232609 1.28967791 Ni 42.02817360 38.88637962 38.59929941 -33.93185081 47.68257814 -43.53877653 Ni 35.79603957 40.40022372 34.64790602 0.17016147 -0.85691127 -0.38310172 Ni 36.21836453 41.60886605 36.48166904 60.02089850 -25.37625788 -36.06778066 Ni 37.91625879 41.96032124 35.32378349 1.58382389 -0.86927203 -1.88994629 Ni 39.08731576 43.58588417 36.16709577 0.87008461 0.95891595 0.80023380 Ni 37.98653222 39.87191594 37.27505008 -19.34191835 20.41549501 -4.89320212 Ni 38.44600427 40.68029226 38.70245713 4.58134522 10.10408541 19.07820177 Ni 35.05253863 42.08347222 37.20872728 -61.59890537 24.96997890 38.76720672 Ni 36.17410853 44.05607962 39.16248304 -10.91790865 11.15836151 -8.14920043 Ni 39.97555905 39.79217440 35.42276050 0.49426521 0.50125881 -0.40339849 Ni 42.18082320 40.94590517 36.23392833 -1.63448034 4.03844706 -15.42435858 Ni 41.67236630 42.58727912 34.68573337 -0.03663911 0.48132551 0.18020309 Ni 43.78577114 43.92545787 36.17905616 -0.97787782 -0.76777788 0.40826518 Ni 42.33193849 40.45014082 37.91557061 -33.06568851 -14.87235682 -25.16642606 Ni 43.32623522 41.17472124 38.80114769 37.97748174 26.89714118 33.02901805 Ni 39.99663344 41.91898469 37.78698789 0.27555244 -0.77200481 -0.52894986 Ni 41.02139430 43.80299601 38.08418417 0.54633064 1.05687160 0.29748729 Ni 34.90850649 35.07460605 39.10211073 0.60207688 0.51109226 -0.07569221 Ni 35.41660039 36.65069931 41.66444697 69.81707165 -405.23602742 -313.72699625 Ni 37.83959251 37.04446092 39.97265652 -0.79287661 1.05994559 0.89987068 Ni 38.98360583 38.83041964 41.19645137 -50.62966026 -76.18173773 53.45928801 Ni 37.30611382 34.98311704 41.91747735 0.52548494 0.53293206 -0.38003603 Ni 39.43388452 36.69368693 43.24811098 -3.33370380 -0.78080320 2.39831129 Ni 35.28227015 37.43530434 42.27072714 -69.23448192 404.27366753 311.34330646 Ni 35.43695406 38.71924323 43.92116535 0.68577990 1.57899179 1.34511526 Ni 39.48542274 35.20255800 39.98759641 2.33423184 -0.96941113 3.47727280 Ni 41.89965455 36.52312714 41.53233435 178.15416007 -93.20639543 -54.01278102 Ni 42.51107330 37.82940245 39.42603606 18.17019382 -55.04865193 52.59876088 Ni 43.86614804 38.49154409 40.87194148 1.20491040 1.09083672 2.07520808 Ni 41.97396478 34.99918509 43.38923576 -0.51111368 -0.26065264 0.03103173 Ni 43.65139918 36.66650179 43.41727089 0.00475744 0.72763605 -0.38722473 Ni 40.84166975 37.07783301 41.84844081 -175.92278417 94.62416753 50.32851999 Ni 40.58736348 38.74218253 43.92945966 0.40422242 0.61149964 -0.33294877 Ni 35.63331559 40.05914806 39.74507839 0.37401122 1.52226298 1.01821355 Ni 36.39879173 41.07959918 42.18748312 -142.89285175 115.46846905 -46.80347444 Ni 37.25058087 42.93113249 39.94128863 10.72725082 -13.06399755 7.30740885 Ni 38.68486917 43.94841959 41.21964126 1.17808041 0.07116634 0.78241963 Ni 37.34765157 40.31257424 42.48799865 114.83595178 -125.97286468 22.89456620 Ni 38.57461245 40.70800100 43.43472748 29.45692455 9.17265972 22.38824186 Ni 34.74724976 42.24030694 43.06790595 -9.37879594 -5.08009466 -4.76517722 Ni 36.11443939 43.15261223 43.86562072 8.91464569 5.56713536 4.67455307 Ni 39.64634390 39.82540270 40.49568208 47.33466777 72.37534495 -54.93898913 Ni 41.07100383 41.05846212 41.04308675 3.32817560 1.90055354 1.10126936 Ni 42.36781058 42.74336525 40.23089929 -31.92484207 -29.25163563 -17.74645702 Ni 43.41301146 43.73640299 40.80851240 31.78318027 30.16421932 17.50208037 Ni 42.67042554 40.71330791 42.97426462 -11.30768325 -7.39839897 -8.95813985 Ni 43.93182766 41.47410853 43.95505438 10.73981929 6.52321752 8.19845411 Ni 40.49169263 42.58517944 42.71081200 -136.64215776 -191.58051209 -138.78082421 Ni 41.07467618 43.40775423 43.30674320 135.83117059 191.65732662 138.92799833