64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-96.62175843598173 stress="0.00026772828463312784 8.310864415232198e-05 -8.380216335589681e-05 8.310864415232198e-05 0.00027193190356885336 -6.622725310335005e-07 -8.380216335589681e-05 -6.622725310335005e-07 0.00028294608565640293" free_energy=-96.62175843598173 pbc="F F F" N 34.91764139 35.30939074 35.58682283 3.61069235 -0.47575559 1.08885099 N 36.13713315 35.90721267 36.40393299 -4.19798120 1.57497955 1.79775880 N 38.06675501 37.72043528 35.04197426 1.19741164 1.60601474 1.43544095 N 39.18184381 38.75381990 36.35683713 -2.51311011 -1.92392996 -1.47071377 N 37.40126370 35.55983718 37.63254407 -2.65580093 -2.36165319 -3.43799762 N 38.87049251 36.42274801 39.06633381 2.05078206 -0.95477249 -1.97858849 N 34.90312477 36.91083227 37.33549150 2.22816427 0.33730436 0.09477523 N 35.94670497 37.76635876 39.07559177 0.85435984 3.38602195 -0.25757752 N 40.34217946 34.91688959 34.78988013 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42.89786233 37.83129035 5.85420701 7.55795530 2.47604325 N 35.80415239 44.18399638 38.31341300 -4.93768642 -8.07706103 -2.91405531 N 40.03959720 39.99778919 34.70452046 0.60701830 1.35783508 2.74264644 N 40.86250509 41.73031851 35.82304531 15.23036412 5.23189889 -12.01653438 N 42.03680825 42.29461964 35.14050205 -16.09575256 -7.08097524 10.94300593 N 43.91909003 43.97180439 36.84590120 -0.00894254 0.01088027 -0.01846007 N 42.19785551 39.75973021 37.46842060 -0.73371858 -3.41791731 0.61166437 N 44.16650189 41.48165455 38.88554487 -1.92845321 1.97188636 2.34182071 N 39.87501571 42.32230587 37.63196207 -2.68489968 -5.56308573 9.50891229 N 40.81050288 43.44454241 39.06411530 -0.91346904 -1.51159925 -1.85720935 N 35.31833345 35.35564418 40.79013951 -0.28049548 2.57850776 1.25376504 N 36.58108167 36.31105183 41.36457661 -3.15957742 -0.18017164 -0.66188782 N 37.20353115 37.56773381 40.16134314 0.37368744 -5.67443769 0.15689298 N 38.62450831 38.51308296 41.46051514 -1.49347635 -2.47601569 1.95824650 N 37.51759734 34.84691209 42.53896692 0.20901706 1.96665514 -0.53050141 N 38.52841774 36.68037883 43.75104520 2.41664935 -0.83460251 -2.01660306 N 34.84619244 36.84408447 41.74786704 1.62512860 -3.38437490 0.00337913 N 36.36895662 38.91819221 43.93090577 2.27253985 -0.35600455 -2.44827181 N 39.41644789 34.93972545 39.46933396 -0.88178576 2.43507885 0.78481196 N 41.61498033 35.95955613 40.29913662 3.11861752 0.56459495 -0.80635252 N 42.96209557 37.14590519 39.83975485 10.00554440 -1.79774297 -5.96012523 N 43.80375438 39.45981401 40.67895511 -0.10595188 0.43917189 0.27369119 N 42.80765239 35.18260870 42.95718749 7.08191596 6.89093974 4.21777621 N 43.69452641 36.04637803 43.48287224 -7.08331275 -6.88938422 -4.20102947 N 39.53610325 37.01232978 42.27446398 -3.86971375 3.38983592 1.88256299 N 41.00367653 38.72713023 43.88171031 1.23013414 1.20971319 -0.46209778 N 35.08522458 39.53058845 40.41684930 0.29069029 3.08388454 0.77333851 N 35.91487915 40.77719125 41.02006853 -1.53008900 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43.66880401 0.08100675 -0.08297424 -0.47207681