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=-104.3391141372494 stress="-1.902941417182493e-05 -4.2395997842514444e-05 -0.00011741042278914006 -4.2395997842514444e-05 -6.801244068370331e-05 -1.6089435292354843e-05 -0.00011741042278914006 -1.6089435292354843e-05 -3.396419411649982e-05" free_energy=-104.3391141372494 pbc="F F F" Ni 35.22086729 34.98310996 34.77096654 -0.67077520 -0.29515252 -0.54547970 Ni 36.59933616 35.93572417 35.98055861 -3.30073654 -3.06190187 2.27776183 Ni 37.14715992 37.22516294 35.23402360 1.84979012 5.84707058 -3.77072839 Ni 38.38021302 38.78131475 35.96390753 1.01012113 1.00101764 -1.28942803 Ni 37.29465675 34.93158033 37.38974172 -1.64847361 -3.31040674 2.43378549 Ni 38.85840215 35.76443239 38.05624271 2.72759373 1.17041644 1.76940481 Ni 34.64671032 38.09821943 37.41689395 1.77494071 0.27520894 0.03459345 Ni 36.55604684 39.07636534 38.99475015 -3.98077059 7.09637873 -4.31574870 Ni 40.66546038 35.66011268 35.25633555 -1.94530990 -0.06354176 -1.95260923 Ni 41.59993901 36.23678549 36.81406727 -0.58658838 3.51604039 1.31470417 Ni 42.56413860 37.42957765 34.86420263 -2.88372799 -1.90278939 -1.01350830 Ni 43.67982227 38.56376137 35.86736005 1.03657394 1.85378873 2.46158653 Ni 42.81964364 35.29825864 37.98568119 -1.18223913 -3.01593912 -0.40515033 Ni 43.94092265 36.22857540 39.12054377 5.52477122 -0.64608546 -0.32450273 Ni 39.63485376 37.67682157 37.44339995 0.15567295 0.30958388 -0.79084356 Ni 40.92663375 38.78578868 38.77269330 1.46275549 0.54131403 0.40034957 Ni 34.96933175 39.95945902 34.89592976 0.48453246 -0.66960023 0.25821725 Ni 36.14575737 41.14278774 36.24085714 0.20970148 -2.14565310 3.46434881 Ni 36.84486110 42.04413834 34.69446895 1.39148652 0.97727755 -1.54045593 Ni 38.61643991 43.32327578 36.40123177 -8.14475297 3.56421803 -4.78398555 Ni 37.95366604 39.88968876 37.71888199 -4.81448319 -2.29859364 -3.73175702 Ni 39.18297782 40.79320854 38.39174556 6.52101399 4.42939356 2.42291142 Ni 35.80223618 42.83814538 37.63905551 0.41067049 -3.21212171 -4.63619209 Ni 35.90975672 43.66349090 39.11824152 0.78158307 2.29275502 6.03190899 Ni 40.35742060 40.07093323 34.70305829 -0.07648759 -0.28826777 1.65090496 Ni 41.60365422 41.12475624 36.46651109 -4.16864640 4.32559448 -3.18891044 Ni 42.42183436 42.92148869 34.86252385 -1.10610435 -1.03429477 0.43048595 Ni 43.80466679 43.89897133 36.11454210 -0.17442698 -0.38743805 0.90283378 Ni 42.58087455 40.09122498 37.35935114 3.14437579 -4.29593879 3.84616728 Ni 43.89383841 41.09133389 39.03856961 -1.01662473 -0.16681265 0.40622832 Ni 39.66448343 42.68403127 37.11226018 7.33358643 -4.88743799 4.26593688 Ni 40.97555741 43.31914392 38.89352680 -5.34563428 1.10202410 -2.55784055 Ni 35.31799398 35.02736316 39.53882749 -0.78744187 -2.30819535 -3.87175344 Ni 35.95104391 36.09305905 40.80373547 1.36463613 4.25177360 2.38421839 Ni 37.00297454 37.99791377 39.62151619 3.76382424 -9.45686893 4.72255884 Ni 38.55150311 38.51894432 41.34725891 -2.27768497 -3.77824197 3.16517115 Ni 37.07742728 35.37193886 42.40338597 1.20662869 0.25177642 0.49595864 Ni 39.08450338 35.75571598 43.58475277 -2.36634170 -3.02381201 1.32286016 Ni 34.99655912 37.96978731 42.51668654 -1.49188247 -2.06761851 -3.14341801 Ni 36.22422232 38.91950201 43.54655608 -1.51248026 -2.49929801 4.10313796 Ni 39.22564557 34.87694738 40.41040162 -0.20640311 1.48139101 0.44442951 Ni 41.48837336 36.00831489 41.43404765 -4.60622258 6.70515248 -4.55722731 Ni 42.84911873 37.25854751 40.08801189 -6.49794471 -0.50818872 -1.22424862 Ni 43.60556472 38.49425818 41.03735392 1.69292678 4.71182648 3.32290483 Ni 42.20384740 34.85081933 42.03810700 4.40704510 -6.66643613 3.82698531 Ni 43.62373914 35.52747545 44.00814638 -0.77312178 0.31959532 -0.85768681 Ni 40.09980901 37.00409575 42.77385137 0.59782899 2.29019996 -2.60626047 Ni 41.01336500 38.73073442 43.33882071 0.96380816 2.40909212 -0.61940217 Ni 34.83286624 40.11066877 39.61367676 -1.53821363 -0.96734800 -0.76945736 Ni 35.48986624 41.70243494 40.66920904 2.11931324 1.03451751 0.49517608 Ni 37.82350393 42.21827495 39.80335328 -3.36268633 -4.53505032 -4.11532699 Ni 38.63834321 43.28337470 40.87827378 2.90199887 3.47743031 3.95399855 Ni 37.36102597 39.94186987 42.87644269 4.86625608 4.56307263 -3.55734286 Ni 39.62503138 40.79050919 43.80644034 -0.10859419 -0.65733449 -0.62399247 Ni 34.62935593 43.13819242 42.03701462 0.92732836 0.42148443 0.12290314 Ni 36.88824441 43.79540286 43.37563583 0.10467715 -0.88838314 -1.27306227 Ni 39.50493887 39.74812168 40.36805486 1.25857252 2.15632694 -1.77918243 Ni 40.89974943 41.22892384 41.12165250 -0.11135223 -4.62837634 -10.39220440 Ni 42.34497277 42.80178516 39.71375535 5.31138955 -2.71973216 3.82541524 Ni 43.96837464 43.91658749 41.83438499 -1.22063105 -1.36174601 -0.07433810 Ni 42.44833626 40.87977882 41.96256184 5.03895197 -1.78284822 1.70507071 Ni 43.46668798 41.71033790 43.74339934 -0.69207983 0.63893292 -0.51260024 Ni 40.39757659 42.11536967 42.13716159 -3.84804002 7.72002186 7.43990376 Ni 40.83743333 44.06242240 43.78427962 0.10254721 -1.20322218 -0.87817725