500 Lattice="16.37060176472309 0.0 0.0 0.0 16.37060176472309 0.0 0.0 0.0 16.37060176472309" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1422.8079435702396 stress="-0.031426773204513085 -0.0016608367482700529 -0.0014069486709036923 -0.0016608367482700529 -0.029729893266966026 0.001510347353859459 -0.0014069486709036923 0.001510347353859459 -0.030724143105687614" free_energy=-1422.8079435702396 pbc="F F F" Be 0.01083234 0.00045340 0.00787364 3.33195872 2.63219399 3.54369327 Be 1.64523952 1.65433679 0.03030755 -0.88639495 -1.41722945 -0.95943825 Be 1.60565880 0.02222695 1.61251659 -1.36219633 -0.83938684 -1.92700388 Be 0.02408691 1.62031823 1.65321101 -1.04983708 -0.94008112 -1.44056962 Be 3.23380320 0.01963076 0.01107109 -0.03225889 0.44800681 0.44985082 Be 4.90746456 1.58890027 0.05143257 -0.40436531 0.47206771 -1.22810872 Be 4.91065482 0.02415510 1.64774246 -0.26524908 -1.32727889 0.03611006 Be 3.31340081 1.65124817 1.68545748 -0.93903256 -0.40502977 -0.71942823 Be 6.57425122 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8.21443663 -0.14697217 0.40379091 -0.67635292 Be 3.22623262 8.16843403 8.20722171 0.86192969 0.99238657 -0.53914267 Be 6.54707290 6.55096891 6.53201537 -0.03294466 0.01500120 0.60074669 Be 8.20732558 8.21156022 6.52970244 -0.29223068 -0.45266245 0.06496112 Be 8.19878564 6.55800905 8.17408121 0.06922027 0.06215002 -0.05237670 Be 6.52541502 8.20282148 8.19551323 0.63422286 -0.32307748 -0.10187439 Be 9.83540043 6.52883124 6.52679859 -0.16101850 0.58626386 0.06730869 Be 11.45721377 8.19555382 6.55728790 -0.10521311 -0.16161164 -0.04544992 Be 11.42094222 6.52040090 8.15671500 0.87445632 0.69766427 0.33885091 Be 9.82450559 8.18255915 8.17472568 -0.04088915 -0.14731829 0.25445718 Be 13.08411417 6.55986541 6.57741952 -0.17814821 -0.27626885 -0.38598465 Be 14.74103045 8.18556079 6.57091612 0.40871995 0.06777433 -0.50122903 Be 14.70630231 6.56802439 8.18867660 0.74776229 -0.59126340 -0.10229015 Be 13.12857562 8.17506895 8.16757697 -1.17176311 0.30755980 0.29301437 Be 0.01158060 9.79539626 6.56199294 -0.52204413 0.09005445 -0.13496205 Be 1.65241014 11.44344351 6.53401264 0.16129412 0.28118021 0.12365305 Be 1.61335724 9.88519807 8.19707860 0.84683383 -1.07165288 -0.22050146 Be 0.02992247 11.44272891 8.15972845 -0.83232687 0.64488124 0.24748929 Be 3.24613585 9.84123150 6.53348005 0.66107002 -0.63542666 0.43266398 Be 4.90192389 11.41954780 6.52538572 -0.05206331 0.42227420 0.26421563 Be 4.91085387 9.80144403 8.18576866 -0.45559710 0.45219490 -0.20898904 Be 3.28048193 11.43149478 8.22389086 0.11476812 0.31807465 -0.52526404 Be 6.52861606 9.82119594 6.57437767 0.35138536 0.29553739 -0.21885456 Be 8.20254441 11.46481996 6.54115878 -0.49219281 -0.00658627 -0.24382371 Be 8.21024650 9.82922260 8.15308427 -0.74085731 -0.37239321 0.57309368 Be 6.53351729 11.49599972 8.19375752 -0.15848934 -0.52661040 -0.56060312 Be 9.81362038 9.82284329 6.59791496 0.52211925 0.06220466 -1.12733320 Be 11.44663178 11.48545230 6.55783176 0.09496615 -0.23964044 0.10607649 Be 11.43295862 9.83141248 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