32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=621.0161371242644 stress="-0.0369268515977199 0.0008401149858506202 -0.0018491973048477466 0.0008401149858506202 -0.03478288424384885 -0.0016813994986092393 -0.0018491973048477466 -0.0016813994986092393 -0.03709072481739943" pbc="F F F" Nb 20.85540510 21.11115480 21.11044915 -25.80417755 -48.11355212 -49.88886358 Nb 22.70960170 22.31143450 20.83833517 -46.02531163 79.46766409 -50.63216775 Nb 22.32198775 20.83509776 22.66640352 8.98759962 -35.49787215 13.40124835 Nb 20.77812781 22.51878885 22.32834452 -27.47811613 31.35167388 28.28293184 Nb 23.60009055 20.95894820 21.20259391 74.69588083 -101.50416704 -28.59326426 Nb 25.56504129 22.17241380 20.86550211 17.52454440 11.29684756 -35.50776710 Nb 25.28802619 21.22277084 22.68584377 61.43592246 -164.41706066 -145.79421690 Nb 24.18362810 22.69581920 22.64685009 -112.94832588 -92.73000044 -26.93840372 Nb 21.26959405 24.17626233 20.85402479 -59.27089296 -84.27289393 -128.92786815 Nb 22.70996341 25.49207130 21.15300231 -15.66382674 131.67041239 -137.43103200 Nb 22.53848316 23.95774659 22.32435701 -60.17724003 -101.53333409 55.66493281 Nb 20.95789336 25.38825682 22.02601319 -88.66748381 95.66484135 74.66749172 Nb 24.19178619 24.17895518 21.29140871 -21.85238943 -91.55532496 -252.81074059 Nb 25.61455359 25.53253581 21.14904689 54.44588277 69.36243789 -46.17916284 Nb 25.28091226 24.10609294 22.46603997 235.87707234 -69.04787049 13.68869703 Nb 23.80598025 25.32157598 22.51361598 28.50362605 213.19821204 63.88780007 Nb 20.85198705 20.97567541 24.06329927 -120.64518104 -83.16828095 -45.42336686 Nb 22.13923915 22.27846858 24.29326255 89.45826960 111.86104280 -105.35595806 Nb 22.34126820 20.84140700 25.31668137 45.93550856 -133.97460105 83.08605711 Nb 20.91986395 22.24396547 25.59073906 -92.15775702 50.97565323 107.17897117 Nb 24.27219963 20.93381326 24.13132919 -85.15304793 -66.80699030 47.88082740 Nb 25.75978669 22.22592512 23.78504734 125.49718005 115.37572488 118.60405953 Nb 25.68365717 20.97579694 25.58343331 24.15478417 -11.83522295 37.04356358 Nb 23.67675590 22.30946113 25.72094491 36.74480875 32.83146287 44.36612919 Nb 21.23171545 24.18190327 23.88019032 -101.29743806 -33.95177540 -36.60717050 Nb 22.71219253 25.42485375 24.12990665 -46.08004544 144.76268585 -62.35101564 Nb 22.28220450 24.28278197 25.56210000 48.77943879 -178.15519121 102.92851507 Nb 21.13362859 25.32702941 25.57034430 -139.16889352 126.41591988 50.64838737 Nb 24.04852473 24.05473499 23.91561068 -51.24238840 -77.18144446 80.93699023 Nb 25.63661615 25.40480033 23.62365141 74.39697847 108.89237850 51.73454467 Nb 25.29869006 24.11041876 25.26735611 103.72110132 -49.08214350 70.13113535 Nb 23.83533445 25.24148635 25.58611608 63.47391740 99.70076847 108.30871545