32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=621.0161371242648 stress="-2735.8365811718745 62.24243907170285 -137.00332992156012 62.24243907170285 -2576.994327858275 -124.57152605296233 -137.00332992156012 -124.57152605296233 -2747.977620271492" pbc="F F F" Nb -0.14459490 0.11115480 0.11044915 -25.80417755 -48.11355212 -49.88886358 Nb 1.70960170 1.31143450 -0.16166483 -46.02531163 79.46766409 -50.63216775 Nb 1.32198775 -0.16490224 1.66640352 8.98759962 -35.49787215 13.40124835 Nb -0.22187219 1.51878885 1.32834452 -27.47811613 31.35167388 28.28293184 Nb 2.60009055 -0.04105180 0.20259391 74.69588083 -101.50416704 -28.59326426 Nb 4.56504129 1.17241380 -0.13449789 17.52454440 11.29684756 -35.50776710 Nb 4.28802619 0.22277084 1.68584377 61.43592246 -164.41706066 -145.79421690 Nb 3.18362810 1.69581920 1.64685009 -112.94832588 -92.73000044 -26.93840372 Nb 0.26959405 3.17626233 -0.14597521 -59.27089296 -84.27289393 -128.92786815 Nb 1.70996341 4.49207130 0.15300231 -15.66382674 131.67041239 -137.43103200 Nb 1.53848316 2.95774659 1.32435701 -60.17724003 -101.53333409 55.66493281 Nb -0.04210664 4.38825682 1.02601319 -88.66748381 95.66484135 74.66749172 Nb 3.19178619 3.17895518 0.29140871 -21.85238943 -91.55532496 -252.81074059 Nb 4.61455359 4.53253581 0.14904689 54.44588277 69.36243789 -46.17916284 Nb 4.28091226 3.10609294 1.46603997 235.87707234 -69.04787049 13.68869703 Nb 2.80598025 4.32157598 1.51361598 28.50362605 213.19821204 63.88780007 Nb -0.14801295 -0.02432459 3.06329927 -120.64518104 -83.16828095 -45.42336686 Nb 1.13923915 1.27846858 3.29326255 89.45826960 111.86104280 -105.35595806 Nb 1.34126820 -0.15859300 4.31668137 45.93550856 -133.97460105 83.08605711 Nb -0.08013605 1.24396547 4.59073906 -92.15775702 50.97565323 107.17897117 Nb 3.27219963 -0.06618674 3.13132919 -85.15304793 -66.80699030 47.88082740 Nb 4.75978669 1.22592512 2.78504734 125.49718005 115.37572488 118.60405953 Nb 4.68365717 -0.02420306 4.58343331 24.15478417 -11.83522295 37.04356358 Nb 2.67675590 1.30946113 4.72094491 36.74480875 32.83146287 44.36612919 Nb 0.23171545 3.18190327 2.88019032 -101.29743806 -33.95177540 -36.60717050 Nb 1.71219253 4.42485375 3.12990665 -46.08004544 144.76268585 -62.35101564 Nb 1.28220450 3.28278197 4.56210000 48.77943879 -178.15519121 102.92851507 Nb 0.13362859 4.32702941 4.57034430 -139.16889352 126.41591988 50.64838737 Nb 3.04852473 3.05473499 2.91561068 -51.24238840 -77.18144446 80.93699023 Nb 4.63661615 4.40480033 2.62365141 74.39697847 108.89237850 51.73454467 Nb 4.29869006 3.11041876 4.26735611 103.72110132 -49.08214350 70.13113535 Nb 2.83533445 4.24148635 4.58611608 63.47391740 99.70076847 108.30871545