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=-138.36872627300144 stress="-0.00016102390382318382 0.00011349946572661144 9.288700179458168e-05 0.00011349946572661144 -0.00026640446235009135 7.793794924019373e-05 9.288700179458168e-05 7.793794924019373e-05 -0.00015516147440981383" free_energy=-138.36872627300144 pbc="F F F" V 34.91764139 35.30939074 35.24583276 -1.32089907 -0.17443061 -1.03506487 V 36.13713315 36.24820274 36.51595800 4.96553019 -0.26896853 -4.34221379 V 37.50029656 37.36203957 35.04197426 0.66362809 0.32275345 0.36813631 V 39.18184381 38.75381990 36.55178363 -3.51323786 7.55793246 -1.66090240 V 37.20631720 35.55983718 37.63254407 3.76435732 -2.30980061 3.76968940 V 38.87049251 36.42274801 39.06633381 -0.90489721 5.96309870 -0.44961600 V 34.90312477 37.07223592 37.10901582 -7.32793522 4.16685352 2.16305352 V 36.44552824 38.25719768 39.07559177 -0.65509824 2.25980905 -7.42033741 V 40.38896058 34.99781918 34.77486798 0.55457790 1.36591690 1.06630197 V 40.93149516 36.43186856 36.47269634 4.36479549 -4.56667805 -2.20459857 V 42.36960670 37.77062232 34.83158468 -0.55660942 -0.10392957 0.11855585 V 43.29383404 39.20527696 36.50900551 4.83306442 -3.48621003 -4.76726388 V 42.88604641 35.05197145 37.51944756 -0.85234339 1.41305615 0.15618546 V 44.14694032 36.65777444 39.11232067 13.46915902 -5.47321124 -4.68713544 V 39.86552624 37.49287917 37.17713189 -1.40073760 -3.32830677 4.24982997 V 40.66626148 38.22536303 39.23108471 1.05164254 0.57834865 1.60266608 V 34.59829128 40.36140415 35.19313652 2.29799571 0.44201736 1.23347249 V 36.72661173 41.54292364 36.59699718 -0.75068490 11.50078427 0.07840949 V 37.35180833 41.71758823 34.96243922 1.50100189 -0.23921126 -4.26791449 V 39.22180147 43.70381834 36.16697170 -0.48032365 1.11804777 -0.32226210 V 36.81300903 40.20313122 37.10690137 -0.93100332 -12.84252691 3.84164523 V 39.04138070 41.27521663 38.74473608 -3.47714410 5.85119803 -3.44669264 V 35.08281451 42.89786233 37.83129035 -3.43945622 -6.53134466 -1.94643720 V 35.80415239 44.18399638 38.31341300 3.52991247 6.33143955 2.30048953 V 39.78652676 39.88913265 34.91444105 0.03490899 -0.52306025 -0.98433649 V 40.86250509 41.73031851 35.82304531 -8.32265922 -3.81456808 2.24882314 V 42.03680825 42.29461964 35.14050205 10.21940812 4.62270849 -3.52984878 V 43.41940571 43.74705666 36.30435139 -1.62753571 -1.66952908 -0.01828989 V 42.19785551 39.75973021 37.46842060 -6.59963637 2.49034478 5.64177750 V 43.67224037 41.48165455 39.10640122 2.49228425 -10.01629936 -6.38543302 V 39.87501571 42.32230587 37.54279434 1.38511062 1.45308743 -0.93290152 V 40.96935670 43.96490602 39.32788579 -0.39219102 -0.70520926 1.34369545 V 35.31833345 34.81690383 40.34945671 -0.70959732 0.13104105 -0.60212882 V 36.58108167 36.09508615 41.36457661 4.19690531 -5.36476666 1.69354586 V 37.20353115 37.56773381 40.38885400 2.38276586 1.57720632 4.40109143 V 39.01162095 38.65698199 41.34332575 1.53303440 3.60848576 -0.17249749 V 37.55770948 34.82785311 43.17606701 0.33213337 -0.04413464 -0.52507988 V 38.52841774 36.89634451 43.55517807 -4.49193260 0.74742037 5.59461033 V 35.11806500 37.08062665 41.82559524 -3.57226596 2.10806159 0.71331422 V 36.09880638 38.77429319 43.93090577 0.50116535 -0.41589423 -1.12637775 V 39.39559311 34.93972545 39.57871130 0.67442535 -6.42840693 1.84460325 V 40.97312928 36.29649910 40.59316853 1.42877851 0.05569570 -0.28276268 V 42.96209557 37.18270701 39.53756462 -13.07800246 3.66297892 3.10177892 V 43.57142021 38.83348456 40.55102396 -0.18791980 1.67081557 0.48531382 V 42.80765239 35.18260870 42.95718749 -10.36443963 -8.61248603 -5.50352498 V 43.69452641 36.04637803 43.48287224 9.92081460 9.61432600 4.86252952 V 39.53610325 37.01232978 42.27446398 3.05490124 -3.79288620 -4.50021870 V 41.07836203 38.61016783 43.27658446 -0.10145832 -0.47545292 0.07388255 V 35.06136510 39.06777977 40.39068904 -1.33063284 0.50808842 1.58257081 V 36.59763765 41.20539255 41.02006853 -0.48294596 0.20216017 -5.73306474 V 37.51820918 42.21162941 39.75635039 -0.72155321 2.50636037 -1.99759751 V 39.08119819 43.87820271 41.02244107 0.10507598 0.99173206 -0.88192220 V 36.84460388 40.31275588 42.40585949 0.97879453 -6.32716835 5.59720782 V 39.31726188 41.25711276 43.37993487 -1.08687968 -2.49303909 3.70664827 V 35.81701785 42.25899668 42.59840629 -2.00389069 0.23796848 1.52626538 V 36.28417376 43.96611863 42.91646531 1.35591320 2.31669561 0.09425217 V 39.55723056 40.17789546 39.57217752 2.72514868 -8.39332487 5.02665919 V 41.01696792 41.22353837 41.22214569 3.52165498 -2.13371363 -6.65215175 V 43.25730465 42.61575364 39.84558632 -2.94611448 10.31641411 7.18604369 V 43.72299524 43.84040093 42.02484763 -3.12008359 -1.92085407 0.13158515 V 42.12715892 40.23642869 42.29031447 2.47212446 -0.90781008 1.84292960 V 43.66718397 40.54451482 43.71518841 -0.70175825 0.14607221 -0.91658659 V 40.03316196 42.16915316 42.06330551 -3.92149794 6.69865984 0.00093375 V 41.72127869 43.49051197 43.76745485 1.06235238 -1.17435712 -2.35333552