500 Lattice="17.48354592085166 0.0 0.0 0.0 17.48354592085166 0.0 0.0 0.0 17.48354592085166" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2034.7875526428966 stress="-0.007601010743178359 -0.0004003256378879908 6.210468148882159e-05 -0.0004003256378879908 -0.007589077081672711 -0.0004795316923549974 6.210468148882159e-05 -0.0004795316923549974 -0.007467844084632295" free_energy=-2034.7875526428966 pbc="F F F" Ni 0.02269415 0.01280840 0.01854776 0.55991604 0.56925351 0.55788220 Ni 1.72543674 1.77813586 0.02419165 0.16105864 -0.43709594 -0.30545647 Ni 1.75252801 0.02377841 1.75681742 -0.04896942 -0.35508478 -0.22682453 Ni 0.00727360 1.71879013 1.77493118 -0.33422034 0.13195022 -0.22968355 Ni 3.49196138 0.01277354 0.01361138 -0.09398416 0.29413266 0.18502694 Ni 5.23176524 1.76896395 0.02143490 0.19462477 -0.24133461 -0.36529449 Ni 5.26342778 0.01788129 1.72307515 -0.24615225 -0.39792684 0.08773055 Ni 3.50991382 1.71830173 1.76317557 -0.13630954 0.35971973 -0.02753050 Ni 7.01967351 0.01783647 0.00240916 -0.11843286 0.26561685 0.18642077 Ni 8.74190578 1.75578111 0.03093725 0.01985993 -0.07694852 -0.21119788 Ni 8.71251699 0.03028465 1.77006945 0.34863151 -0.25005065 -0.02168940 Ni 6.97607937 1.74205207 1.75526289 0.10567761 0.18135148 -0.14188747 Ni 10.48548616 0.01252156 0.00529115 -0.03391567 0.28949691 0.36320544 Ni 12.21774982 1.78103301 0.02436760 0.30235162 -0.34812116 -0.38577004 Ni 12.23164443 0.01395769 1.76964493 0.07878727 -0.35799275 -0.40365278 Ni 10.52333979 1.74847575 1.74453814 -0.77986649 -0.14528291 0.14683171 Ni 14.01234473 0.01197995 0.02395335 -0.07229450 0.54146997 0.47678716 Ni 15.74009211 1.78176502 0.00016062 -0.46944515 -0.24186474 0.51411651 Ni 15.74209426 0.01271733 1.77657423 -0.49091540 0.45776926 -0.17832660 Ni 13.95948043 1.75315005 1.76757630 0.23062919 -0.27514033 -0.43910140 Ni 0.00105665 3.46564791 0.00513501 0.16616464 0.19269932 0.31131529 Ni 1.75036301 5.27349031 0.01497017 0.11138229 -0.53782210 -0.30634727 Ni 1.71816695 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3.50050830 0.02217594 -0.10118634 -0.10008014 -0.09985318 Ni 15.68154060 5.25775980 0.00716243 0.02108242 -0.25481279 0.10126776 Ni 15.72299470 3.47021098 1.76393749 0.34994161 0.24613851 -0.22707830 Ni 14.01593053 5.23843803 1.79073837 -0.47205933 0.04268861 -0.42588538 Ni 0.03242955 6.97518933 0.03202453 -0.05770341 0.28759831 -0.12941299 Ni 1.78084208 8.71477692 0.03302518 -0.22281696 0.22663766 -0.39131063 Ni 1.71595273 6.98599228 1.75805742 0.76350269 0.23217498 0.23976528 Ni 0.03230497 8.75978146 1.73204322 -0.41212781 -0.06611651 0.20076890 Ni 3.47650299 6.98173782 0.01247952 0.38160526 0.02077487 -0.09993843 Ni 5.27168945 8.73969816 0.00308383 -0.37217598 0.08634334 -0.39562537 Ni 5.27806398 6.97108233 1.71967211 -0.66170450 0.15575478 0.29818050 Ni 3.51505335 8.75822422 1.75553607 -0.05549667 -0.68749982 -0.10752299 Ni 6.98477160 6.99949163 0.02709553 0.22003685 -0.43068475 -0.63240893 Ni 8.72811089 8.74112343 0.01385043 0.39070164 0.13613193 -0.23778454 Ni 8.70726594 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10.51267295 0.02697881 0.11358223 -0.28735013 -0.54592117 Ni 5.24286878 12.21832946 0.01569873 0.07020317 0.23079338 -0.34386058 Ni 5.23298946 10.46962490 1.71696501 0.41767753 0.24387059 0.45092878 Ni 3.51930242 12.21003048 1.74049307 -0.18114060 0.45155400 0.23743272 Ni 7.02674813 10.50935750 0.02297636 -0.21439636 -0.13893584 -0.29266969 Ni 8.70959537 12.26044847 0.02099096 0.67566084 -0.35594177 -0.41657856 Ni 8.73683388 10.49144387 1.77773787 0.24998105 -0.25409059 -0.04302763 Ni 7.02097593 12.26506726 1.73835863 -0.51477607 -0.34874521 0.50587338 Ni 10.51662177 10.50748038 0.01904838 -0.50492457 -0.18312367 -0.20148014 Ni 12.20975513 12.26250796 0.02797139 0.56575974 -0.05554961 -0.36725226 Ni 12.22895923 10.48513343 1.71501120 0.24577156 0.06504801 0.41849149 Ni 10.51772594 12.26225049 1.74421184 -0.35478528 -0.30131312 0.34432235 Ni 13.99064767 10.51159610 0.01081109 -0.15535001 -0.11199576 -0.15730775 Ni 15.72283858 12.20707769 0.01858828 -0.11530402 0.15816520 0.14764463 Ni 15.74383386 10.48006280 1.74178367 0.02686969 0.07315333 0.13932113 Ni 14.00844554 12.27331918 1.77812332 -0.13390400 -0.56905032 -0.40689232 Ni 0.02922858 14.01996846 0.02581897 0.22610831 -0.17520085 0.33253510 Ni 1.74525300 15.73064299 0.00900351 0.04950919 -0.23818264 0.31449750 Ni 1.77047335 13.95496450 1.74932107 -0.24702198 0.20457907 -0.00765744 Ni 0.02282569 15.75377735 1.72870385 0.41563470 -0.43212059 0.16685349 Ni 3.47878207 14.00872855 0.02051659 0.14883126 -0.18580526 -0.18428641 Ni 5.23505088 15.72820994 0.01452595 0.11568998 -0.34429599 0.45868199 Ni 5.27329894 13.98871794 1.73785327 -0.32225058 -0.01836923 0.16804384 Ni 3.45340170 15.74546285 1.77609203 0.25552971 0.01619853 -0.25478568 Ni 7.02004133 13.95358019 0.00401834 -0.24750882 0.68126154 -0.28915837 Ni 8.76971592 15.76671870 0.01322502 -0.17578375 -0.48666992 0.21751190 Ni 8.77364290 13.96753899 1.73331012 -0.30580740 0.36963295 0.20738786 Ni 7.03377090 15.71319841 1.78029540 -0.08495821 0.15575322 -0.34312850 Ni 10.50495716 13.97551554 0.00340490 -0.14966414 0.26853204 -0.32675533 Ni 12.20684664 15.75450764 0.01094005 0.06996756 -0.37449913 0.13014246 Ni 12.26589425 14.00340385 1.75702026 -0.26293437 -0.07396013 -0.12186993 Ni 10.46933402 15.71884712 1.72543314 0.18850610 0.35524549 0.14912911 Ni 14.00262931 13.97681674 0.00767387 -0.12419301 0.09864305 -0.34845047 Ni 15.71823171 15.71645262 0.02015227 -0.43756634 -0.42607269 0.40820542 Ni 15.74090625 13.99000164 1.71587928 0.25296539 0.10542779 0.19783265 Ni 13.95791298 15.74173631 1.68768162 0.47422791 0.17067653 0.33561951 Ni 0.03144406 0.01940809 3.48596065 0.10902811 0.08240623 0.23141870 Ni 1.75743206 1.73595642 3.52209175 -0.25335501 0.27518063 -0.42934121 Ni 1.77026417 0.02816005 5.23736229 -0.47217414 -0.49495668 0.25612977 Ni 0.02469295 1.77247203 5.26974345 -0.44702168 -0.24818989 -0.25158744 Ni 3.46277642 0.02638511 3.52897305 0.47431299 -0.54747872 -0.40311772 Ni 5.25119398 1.73842718 3.51051394 -0.20349349 0.20026240 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