64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=230.86461345499865 stress="-970.6486578614865 -113.00179446775701 -118.53020843812283 -113.00179446775701 -1125.83017081787 -1.3646511336173717 -118.53020843812283 -1.3646511336173717 -934.9553890395381" pbc="F F F" Ni -0.00714941 -0.19068735 -0.36091253 1.21223110 1.08302458 1.05912323 Nb 1.65069931 1.66444697 1.25592154 -69.59686633 -78.79173110 109.85653074 Nb 2.29501545 2.29814022 0.23360583 74.00601708 73.20163639 -118.22571403 Nb 4.23831635 4.08633809 0.95346217 -9.73212632 -13.31008876 11.62090785 Ni 1.64995856 -0.36181975 2.42240867 0.08792887 0.15948245 0.53673025 Nb 4.52724297 0.87984170 4.20835961 -54.28669951 124.98066553 -142.86234078 Ni 0.82995000 2.72359697 2.63820906 -7.16121678 -9.20053961 -12.17168410 Ni 1.00230909 3.80978320 4.06483229 14.76980044 -26.21021299 -2.50635506 Ni 4.74325436 -0.40354130 0.36243373 -0.52304473 0.85644175 0.64271989 Ni 6.07288686 1.18214603 1.37245546 -30.02012687 21.78606963 -58.52520554 Nb 7.81595700 2.70044117 0.26059757 -14.22921682 -18.87361934 -18.44868967 Ni 8.57374210 3.77771285 1.37347262 69.79930901 -69.41418005 -53.26966610 Ni 7.03916316 0.39804483 2.20270003 51.89015739 -41.92698272 45.09149392 Nb 8.71796430 1.75381568 3.81485848 1.10889941 0.58661706 -3.57000282 Nb 4.96959328 2.25512234 2.08435622 -20.12770340 17.61997158 15.62123367 Nb 6.37133246 3.94518869 3.92924184 44.72634876 -26.43805201 -24.16820087 Ni 0.00316944 4.35146721 0.01619727 1.63293028 -0.38382761 1.13259037 Nb 1.45357008 6.67565442 1.45465462 -13.86528963 -1.68735169 11.94494415 Nb 2.93113249 6.67494501 0.23563337 13.19025044 -1.23250795 -13.47485523 Ni 3.58152267 8.39482281 1.42030923 -5.82942656 7.12293503 -3.44060284 Nb 2.80029138 4.69471049 2.83384625 -4.75640343 -7.90774748 -4.67850034 Ni 3.60635964 6.14174279 3.84660442 2.21670064 8.91614275 5.18552299 Nb -0.03243217 7.99135582 2.84836566 -82.42765330 -77.64270424 -46.25565227 Ni 0.89981165 8.88412559 3.39634390 82.44826418 77.53264246 47.93054934 Nb 4.96454509 5.35678973 -0.19462300 4.73351755 10.35895908 -26.08639807 Nb 5.93098823 6.08419077 1.41364554 10.47933663 -1.71663953 9.12520173 Nb 7.02675376 7.70022749 0.01270000 -4.88636926 -1.32449567 -5.23215042 Nb 8.59564800 8.44053334 1.33132863 4.50140586 1.31345264 5.59161343 Nb 7.95015742 4.73506668 2.17133969 -55.68773043 88.24841359 72.65993519 Nb 8.50124925 6.82790735 4.24169263 52.14258276 -22.52208244 -41.75696174 Ni 4.86865181 7.36112347 2.44692630 1.44265445 0.25932245 8.51223764 Nb 5.75778683 8.39584012 4.33628371 -11.16766809 7.84406494 -4.29617808 Nb 0.88802190 0.48163419 5.64581963 -62.10531244 -26.14150912 -61.02572244 Ni 1.90232833 1.02200671 6.61165806 14.46628292 257.15184235 -40.58510118 Ni 1.88637328 2.54021282 5.19584674 7.04384395 -4.46629959 5.66831600 Ni 3.77392839 3.65246879 6.76585093 18.65859798 -24.24263077 -10.78592620 Ni 2.09131170 -0.03691131 7.05116084 49.23304899 -232.26668620 104.37974732 Ni 3.95274081 0.76630109 9.13057689 -2.80445053 -3.02777711 2.76156636 Ni 0.04399765 2.50745072 7.47262732 -28.88918938 -21.37627650 -28.12541079 Ni 1.13805075 3.27561598 8.46444795 30.82259208 20.70598532 26.08113024 Ni 4.87652620 0.06723904 5.14438384 52.37644938 -124.90595198 143.28635587 Nb 6.41378034 1.39770342 6.20139570 -66.50591410 -57.52941334 60.60227439 Ni 7.31689414 2.12775954 5.38703745 70.07258078 59.60400841 -62.46045957 Nb 9.06079504 3.87341451 6.88058318 3.77143921 -5.03012326 -4.57494344 Ni 7.03075750 0.00981662 7.84366302 -10.69975195 -7.98891504 -7.47052438 Ni 8.33049713 0.89972264 8.89897787 9.89726912 8.21457635 7.77386941 Nb 4.92426637 1.92073382 7.71395676 -2.63226021 2.42013966 0.75136135 Nb 6.30512973 3.99866547 8.49964619 -12.94588787 -8.65676260 5.77815616 Ni 0.45641151 5.24947376 4.52689663 -18.81191343 50.26049343 14.62813756 Ni 1.72388604 5.84500813 6.30156401 -19.01429944 18.46830510 -17.81797677 Ni 2.95006012 8.00230124 5.20815962 -60.03729067 -98.78566956 -79.18817899 Ni 3.51477656 8.93542799 5.95980224 58.57120271 99.38413764 78.08399847 Nb 2.77553110 4.92682680 7.27719268 -3.05199066 2.55396778 20.96329063 Ni 3.55606363 5.95024600 8.77582937 3.13340915 3.73634580 6.92889222 Nb -0.00056285 7.99566899 7.98340045 -192.36274160 -107.91435542 -71.38394855 Nb 1.05829075 8.58438790 8.37207137 194.42365386 106.59529823 70.02697410 Nb 5.10741053 4.67931416 4.62632813 -43.57690250 25.36589513 26.24718368 Ni 6.66515985 6.30866074 6.43761455 -9.98622601 -13.98979104 20.43532730 Nb 7.21475159 7.24382101 5.07784186 -51.36449101 12.38432433 6.72706865 Nb 8.61601146 8.07092662 6.01881135 17.12047437 14.45743277 18.95817139 Ni 7.66753761 4.99949709 7.77938506 -1.43867496 3.30143947 -9.89461284 Nb 8.84996901 6.12312757 8.67046567 8.81178306 10.28049051 6.64298051 Nb 4.53405658 7.70960530 7.54747225 1.60054576 -0.81128214 0.04663919 Ni 6.54529283 8.74906517 9.09947408 0.13333003 -1.03831734 -1.00081207