500 Lattice="17.445915688562135 0.0 0.0 0.0 17.445915688562135 0.0 0.0 0.0 17.445915688562135" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1996.4741465932993 stress="-27.262335911130073 -2.090713722706411 -0.8721962403034524 -2.090713722706411 -29.77789378027262 -4.4348187543480435 -0.8721962403034524 -4.4348187543480435 -29.622908083098938" pbc="F F F" Ni 0.01807534 -0.02581619 -0.02321790 0.40969036 0.60722313 0.50812320 Ni 1.79712906 1.71068257 0.00606076 -0.52809742 0.49840250 -0.37850075 Ni 1.75153414 0.02467346 1.70981702 0.05483737 -0.18300803 0.57447393 Ni -0.02516637 1.77525214 1.73038752 0.25380599 -0.22492677 0.07848402 Ni 3.50950285 0.01772296 -0.01573883 -0.02112034 -0.30214108 0.00779290 Ni 5.24479707 1.71164740 0.02749368 0.16929661 0.64981122 -0.37949769 Ni 5.21123179 0.01634426 1.76843610 0.16050684 -0.42305986 0.11491090 Ni 3.51291891 1.75198671 1.71663795 -0.48790218 -0.17705876 0.65514083 Ni 6.95483980 -0.01726373 0.01478064 0.07569774 -0.07671782 0.17543208 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Ni 15.72707600 5.21509758 0.02311856 -0.08074104 0.26610785 0.12830617 Ni 15.72780957 3.48790714 1.73883037 -0.15532463 0.03326393 0.23273840 Ni 13.92841499 5.25705580 1.76192073 0.35920965 -0.29472343 -0.38366148 Ni 0.02515812 6.96847884 -0.01679725 -0.12497296 0.16354769 0.16095407 Ni 1.74841515 8.73494607 0.01046607 -0.14193742 -0.29726342 -0.20563304 Ni 1.70977091 6.96164018 1.73400756 0.33522447 0.11578855 0.25568152 Ni 0.00467848 8.72312617 1.77891374 -0.21696163 0.11127400 -0.44665146 Ni 3.46424901 7.00750921 0.03378922 0.27357007 -0.49832601 -0.22356497 Ni 5.24074292 8.72374444 -0.01224440 0.07884172 0.10338846 0.10117861 Ni 5.26616713 6.97734593 1.77289572 -0.40141596 -0.19878047 -0.29612073 Ni 3.49800477 8.69637671 1.74379409 -0.13379591 0.24066182 0.26212963 Ni 6.96866921 6.96866064 -0.02659696 0.13722829 -0.02155965 0.14370919 Ni 8.71931444 8.70879193 -0.01734764 -0.25380971 0.25269702 0.07056504 Ni 8.74421208 6.96533227 1.74055074 -0.46603852 0.02720312 0.20641276 Ni 6.95259874 8.69878564 1.77703354 0.22470865 0.32559605 -0.45649398 Ni 10.43601229 6.98588265 0.00192819 0.50703160 -0.07195283 -0.14469033 Ni 12.21143807 8.74197091 -0.02822133 -0.01857471 -0.11478129 0.21662536 Ni 12.22601293 6.97984967 1.77559922 -0.25781327 0.13383498 -0.58559805 Ni 10.42954602 8.70729805 1.73045030 0.39439557 0.26348610 0.12691738 Ni 13.98481296 6.99363519 0.01735643 -0.36742097 -0.18105723 -0.23056103 Ni 15.71895702 8.74984180 -0.03245944 -0.02710416 -0.08680123 0.13464202 Ni 15.70247040 6.99764675 1.73629355 0.14761403 0.04210949 0.13655648 Ni 13.98964273 8.74107275 1.72022148 -0.57178806 -0.36007958 0.27946812 Ni 0.02954920 10.48051334 0.02695102 -0.32449386 -0.27145316 -0.11467707 Ni 1.74294997 12.17907099 -0.01280966 0.30790282 0.56540616 -0.09646777 Ni 1.75367838 10.44194369 1.71252423 0.17627462 0.27057804 0.86641458 Ni 0.03144763 12.19862507 1.75554565 -0.27243163 0.37998033 -0.22072709 Ni 3.46984862 10.43455229 0.02067662 0.32567135 0.13014179 -0.32556422 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0.04577762 0.29838573 0.34707292 Ni 10.48477981 5.24620004 5.20933228 -0.01223726 -0.20710949 0.30555754 Ni 13.95502996 3.51713919 3.47731087 0.14810511 -0.28955384 -0.17275776 Ni 15.72068007 5.26203116 3.45403971 0.10113474 -0.29294950 0.04776320 Ni 15.67462027 3.51660294 5.26575068 0.22896249 -0.07385499 -0.34789278 Ni 13.95967539 5.25441636 5.20172520 0.06401264 -0.41415557 0.70357444 Ni -0.00067289 7.00976048 3.46388535 -0.26012671 -0.56586225 0.20337389 Ni 1.73880004 8.69747929 3.48064623 0.38974019 0.47936847 -0.13335368 Ni 1.70996603 6.99985982 5.21204702 0.38571721 -0.71985498 0.10101003 Ni 0.03194885 8.70223693 5.23442193 -0.66389902 0.58803347 -0.24051462 Ni 3.48927703 6.94217541 3.46098717 -0.22889426 0.21306932 0.12344702 Ni 5.20011974 8.75721197 3.49732131 0.44903188 -0.41593661 -0.26780726 Ni 5.20971107 7.01185007 5.18443056 0.45528088 -0.36478009 0.50553568 Ni 3.49738656 8.69492339 5.21427783 -0.56781436 0.29414745 0.09348600 Ni 6.99990272 6.94910998 3.48465853 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