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=-161.62474398909612 stress="-0.0003520824864351049 -0.0001117568995741087 -0.00024459067356157873 -0.0001117568995741087 -0.00031871273650835845 -4.445568357224501e-05 -0.00024459067356157873 -4.445568357224501e-05 -0.0003299904223216161" free_energy=-161.62474398909612 pbc="F F F" Ni 35.22086729 34.98310996 34.77096654 -1.59405938 -1.06742827 -1.50136954 Ni 36.59933616 35.93572417 35.98055861 -5.28285573 -6.63540513 4.19334673 Ni 37.14715992 37.22516294 35.23402360 -1.54309791 2.36761841 -14.30307686 Ni 37.93229823 38.31172061 36.19084223 6.35568039 9.70565657 8.13701779 Ni 37.29465675 34.93158033 37.44481085 1.03038934 -2.98146646 4.68553703 Ni 38.85840215 35.76443239 38.74197382 -3.12793010 3.95701295 -6.88468605 Ni 35.01305245 38.37091231 38.11880303 -4.44110003 -2.60203667 -3.84711841 Ni 36.55604684 39.07636534 38.99475015 -1.19604736 18.57168379 -6.88278955 Ni 40.37367246 35.41590283 35.08987003 -2.54245461 -0.91173711 -1.75749909 Ni 41.81595901 36.23678549 36.29543484 0.25591300 0.81097455 5.08864581 Ni 42.56413860 37.42957765 34.86420263 -3.89111699 -2.11463712 -7.02927636 Ni 43.67982227 38.56376137 35.86736005 4.15755574 4.86766720 5.28499715 Ni 42.81964364 35.29825864 37.98568119 -5.58086283 -7.58763571 -2.45804891 Ni 43.94092265 36.56623313 38.60782559 12.53274941 3.11944907 -4.48783219 Ni 39.63485376 37.67682157 37.44339995 -2.46312425 -2.19097698 -2.99614849 Ni 40.92663375 38.45262663 38.77269330 2.79137636 2.43348297 2.85275873 Ni 34.75331176 39.95945902 35.10549878 -2.74285787 -2.43004354 -2.11931395 Ni 36.14575737 40.88078096 36.24085714 3.98091800 1.77019343 3.55623871 Ni 37.04390700 42.73181923 34.97929580 -0.53195263 -0.65591140 0.31824246 Ni 38.61643991 43.32327578 36.40123177 -13.76356437 8.68347639 -8.60979660 Ni 37.95366604 39.88968876 37.71888199 -8.44058470 -5.98623099 -5.36807287 Ni 39.18297782 40.79320854 38.39174556 9.57895923 7.41355449 4.73944405 Ni 35.30609528 42.83814538 37.63905551 -2.93656647 -6.06968823 -9.09248747 Ni 35.90975672 43.66349090 39.11824152 4.35546072 4.31116496 10.08508129 Ni 40.33637782 39.80684409 35.14031394 -0.11909918 -1.08514638 0.81773150 Ni 41.60365422 41.12475624 36.46651109 -8.12583376 8.72777345 -6.10706640 Ni 41.88430911 43.32139253 35.45702886 -0.87278209 -0.39907830 0.85713808 Ni 43.88885915 43.95496023 36.62908149 -0.22681738 -0.51903359 0.29616265 Ni 42.58087455 40.09122498 37.35935114 2.82759792 -11.89548038 4.33912197 Ni 43.96174114 41.09133389 38.30677838 2.89225192 3.78443354 2.55596882 Ni 39.66448343 42.68403127 37.11226018 15.64571006 -10.65237780 10.27236779 Ni 40.97555741 43.31914392 38.89352680 -13.06826183 3.56588530 -6.38892510 Ni 35.01722653 35.44536394 39.53882749 -8.40111945 -4.37537788 -8.39943438 Ni 36.22627882 36.09305905 40.53656773 9.08924116 7.89600646 5.55979562 Ni 37.00297454 37.99791377 39.62151619 9.29837353 -17.80386915 11.06294490 Ni 38.55150311 38.51894432 41.34725891 -5.13264246 -5.56116794 4.76058861 Ni 37.07742728 34.94599511 42.05741619 1.98074829 -1.03980548 1.49104514 Ni 39.08450338 35.75571598 43.58475277 -5.75608090 -7.18656808 3.62304124 Ni 34.99655912 37.96978731 42.51668654 -4.66463469 -4.37149059 -5.71428026 Ni 36.22422232 38.91950201 43.54655608 -3.37927890 -4.35283417 10.29100249 Ni 39.60467594 35.32260987 40.41040162 2.66944700 -1.75648671 8.67312315 Ni 41.48837336 36.00831489 41.43404765 -7.46333855 14.45949556 -8.12536175 Ni 42.84911873 37.25854751 39.76672743 -11.03341522 0.20118900 3.95087831 Ni 43.60556472 38.49425818 41.03735392 1.78284890 4.13905750 4.10073347 Ni 42.20384740 34.85081933 42.03810700 7.82786082 -12.89734723 6.99707150 Ni 43.25051234 35.92562707 43.81542093 -0.57163350 0.22500425 -0.48697618 Ni 40.09980901 37.00409575 42.77385137 5.17523416 7.70984440 -5.11658074 Ni 41.32560697 38.73073442 43.80156225 0.74465862 0.33875282 -0.59545169 Ni 34.85425416 40.12395794 39.64926184 -1.00180105 1.79821311 1.24674132 Ni 36.13233525 41.76260394 40.79037489 5.57034133 -6.22903687 -5.89993166 Ni 37.82350393 42.21827495 39.80335328 -2.28851550 -7.50942252 -10.28659769 Ni 38.63834321 43.28337470 40.87827378 6.42998657 6.52454500 7.69133413 Ni 37.36102597 39.94186987 42.87644269 9.56526603 8.85979206 -7.25336517 Ni 39.69918625 40.31560404 43.42846539 -0.51625862 -0.47854317 -1.26927992 Ni 34.96909146 42.45741379 41.87629674 -7.08701438 4.72742310 6.98151119 Ni 36.64358137 43.55281325 43.36211719 -0.02714403 -0.52620009 -1.04900365 Ni 39.50493887 39.74812168 40.36805486 3.28808997 5.30951406 -4.86656240 Ni 40.89974943 41.22892384 41.12165250 4.40156840 -8.84561258 -15.79446532 Ni 42.34497277 42.80178516 39.71375535 11.26840763 -6.41754367 7.03343970 Ni 43.71204231 43.94694387 41.19493634 -0.30829115 0.00270557 0.16242615 Ni 42.46928292 40.68021602 42.28045907 1.03524969 -2.90638178 -1.46441488 Ni 43.54371834 40.92142903 44.01684309 1.26916283 0.56403539 2.99430018 Ni 40.39757659 42.11536967 42.13716159 -7.76716961 11.99116101 12.25631119 Ni 41.69791591 43.66281393 43.96495110 0.08826048 -0.79476436 -0.80087535