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=-22.167028804950522 stress="-0.000864116025234108 -0.00018668936179881094 -0.0004088617501443399 -0.00018668936179881094 -0.0009629939189937345 -0.00015292141711403486 -0.0004088617501443399 -0.00015292141711403486 -0.0006588281977315051" free_energy=-22.167028804950522 pbc="F F F" Ni 35.22086729 34.98310996 34.77096654 -1.48476912 -1.04639753 -1.27685785 Ni 36.59933616 35.93572417 35.98055861 -6.49414133 -17.36617619 12.34545110 Ni 37.14715992 37.22516294 35.23402360 -0.46708417 6.50707802 -21.07140171 Ni 37.93229823 38.31172061 36.19084223 8.04807928 11.67968443 9.29422150 Ni 37.29465675 35.14771729 38.20399864 -1.33743787 0.29830396 0.66427313 Ni 39.35802973 36.07349581 38.45018589 0.36735782 -14.83670969 5.51249071 Ni 34.76884260 38.20444678 38.02575960 -0.66378877 -0.36427263 -0.45929196 Ni 36.55604684 39.07636534 38.99475015 -15.24868792 45.14381569 -29.36707793 Ni 40.23975440 35.55577733 35.25284888 -1.73253792 0.42439080 -1.29709296 Ni 41.57116719 36.00454661 36.78983070 0.71716452 1.97585763 0.99423158 Ni 42.51432400 36.93324962 34.69615509 -0.55331515 0.00870834 0.71242056 Ni 43.42712388 38.91385061 36.22088890 3.14533187 -6.18885369 -5.20713101 Ni 42.73578848 35.29825864 38.47892573 -6.07145292 -6.42868457 -0.96472573 Ni 43.94092265 36.56606735 38.98245906 21.06259165 -4.50925120 -9.79852107 Ni 39.39630707 37.63789511 37.84544830 -7.19516516 13.03403354 -9.65162570 Ni 40.96332197 38.14653243 38.64826398 7.23236654 2.48084971 3.65114801 Ni 34.72941635 39.65017747 35.17843495 -1.62582405 -3.95265264 -1.04597840 Ni 35.67994952 41.20201413 35.91957267 -3.37389316 -2.86172067 5.82204357 Ni 36.83832478 42.32454839 35.07964709 5.72981813 6.15093518 -3.32547302 Ni 38.61643991 43.32327578 36.40123177 -31.51739566 18.56690295 -21.39530240 Ni 37.95366604 39.88968876 37.71888199 -9.87448832 -7.55743542 -8.29170674 Ni 39.18297782 40.79320854 38.39174556 13.49162227 8.79174189 7.31573906 Ni 35.30302897 42.85953330 37.63905551 -3.76152029 -2.17833403 -7.31789613 Ni 36.24427906 43.37779151 39.11824152 2.69007310 4.33638783 4.73580006 Ni 40.63153922 40.45221119 35.16239131 -6.69705609 -3.64991082 -8.45256029 Ni 41.60365422 41.12475624 36.46651109 -2.87371703 15.39787504 0.86522846 Ni 41.65903605 43.33357737 34.74691298 -0.35589401 -1.21564994 0.91466256 Ni 43.62645804 43.01529842 36.36792425 -1.12631692 -0.77565256 0.58527517 Ni 42.58087455 40.09122498 37.35935114 3.55449273 -6.93696630 11.17215082 Ni 43.73510397 41.07781524 38.65337001 2.02302819 2.21402407 2.75541290 Ni 39.66448343 42.68403127 37.11226018 30.55919752 -18.51353237 20.03420664 Ni 40.97555741 43.06281160 38.89352680 -17.56825107 1.29832438 -9.29610339 Ni 35.08650936 34.99270265 39.79859771 -32.02211496 -28.04569620 -20.99881320 Ni 36.02951638 35.81350238 40.39348859 32.24532798 28.76359279 19.67972627 Ni 37.00297454 37.99791377 39.62151619 20.35654874 -49.34066738 27.67390628 Ni 38.75210362 38.51894432 41.27444638 -3.14623897 -5.89124972 1.45522997 Ni 37.49149260 35.21043487 41.96708928 1.43130621 0.47152488 0.70294164 Ni 39.08450338 35.75571598 43.99891515 -2.19461987 -2.11546877 0.77329893 Ni 35.42842396 38.28677606 42.84798177 -51.69048135 -41.57263071 -45.87477332 Ni 36.22422232 38.91950201 43.54655608 40.53754708 31.13113603 51.34472064 Ni 39.71309499 35.22221430 40.57758748 -2.72848830 -0.17497123 0.50709770 Ni 41.48837336 36.00831489 41.43404765 -11.97051707 25.33437323 -14.60548648 Ni 42.84911873 37.34925718 39.84520972 -18.49818190 5.49251142 6.39244382 Ni 43.60556472 38.49425818 41.03735392 4.62997602 3.75415152 4.55574692 Ni 42.20384740 34.85081933 42.03810700 15.66666667 -26.02023221 12.94369307 Ni 43.28116307 36.06295912 43.56460464 -0.25791843 1.03762466 0.29730291 Ni 40.24150778 37.00409575 42.88390785 0.23146590 1.89210229 -1.10446898 Ni 40.95198476 39.00576363 43.68573388 2.01079181 -1.06778414 -0.89507248 Ni 35.14758552 39.78870018 40.00686066 -5.32271398 2.67046278 3.87228724 Ni 35.80085817 42.04657078 40.80638853 2.57882278 -5.29471724 -4.51100959 Ni 37.82350393 42.21827495 39.80335328 -3.25317128 -10.38083956 -8.17703529 Ni 38.63834321 43.28337470 40.87827378 6.72251827 8.61609717 8.78038458 Ni 37.36102597 39.94186987 42.87644269 11.88461576 10.88050608 -6.73805923 Ni 39.69225143 40.63183112 43.95736664 -1.81986695 1.67030808 -0.55694213 Ni 35.04200871 42.98730845 42.19801729 -9.68656463 -0.33797927 -0.01057752 Ni 36.22062300 43.77377768 43.28993392 6.64329451 4.18649780 5.76970412 Ni 39.81899047 40.03247668 40.85421832 -9.38612868 -8.88483538 -4.11912913 Ni 40.89974943 41.22892384 41.12165250 26.20448686 -10.14754813 -25.76319739 Ni 42.34497277 42.80178516 39.71375535 18.21833259 -2.73811257 10.60551147 Ni 43.91609134 43.82709812 41.74953070 -1.21351582 -0.76222520 0.21942915 Ni 42.76961237 40.00036892 42.15602423 -1.30417085 1.45265195 0.35390958 Ni 43.46907250 41.19521481 43.88955235 -0.82175494 1.10003954 0.42074219 Ni 40.39757659 42.11536967 42.13716159 -13.26222967 25.30380053 28.69873026 Ni 41.75211220 43.77016552 43.57819544 0.61858979 -0.90913630 -0.84825156