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=165931.76986830548 stress="-10.649761500973996 0.688777837379604 3.151932516989444 0.688777837379604 -7.307285717456645 -1.7179846262047085 3.151932516989444 -1.7179846262047085 -9.44515593663181" free_energy=165931.76986830548 pbc="F F F" Lr 21.12524549 20.74650846 20.72395664 -178.17825211 -248.50012142 -225.74574566 Lr 22.32824816 22.64745286 21.47069055 110091.07059238 -19981.62204928 -72061.51281451 Lr 22.51856327 20.79911512 22.75641562 -2091.04495195 -2336.52058096 -4208.29755245 Lr 21.18364445 22.63800543 22.39849423 -100066.92034786 -9277.31538961 81499.14337603 Lr 24.49540916 20.88855987 20.87346408 -21463.28687020 -25231.17345062 -13392.90068383 Lr 25.39183542 22.21274517 21.22831315 17251.06145113 35834.51194954 -5273.65511784 Lr 25.52768625 20.92525605 22.36541886 6218.22190901 -12084.73150832 16873.75890476 Lr 24.01724879 22.59794683 22.67682790 -1143.26933783 -5086.19422109 -3037.16697599 Lr 21.11626946 23.61175634 20.86606268 -19355.92118024 18438.64833582 -16752.28794563 Lr 22.23891771 25.69642037 21.19318756 11245.28673761 6854.93672794 -16895.19480032 Lr 22.29274901 24.14202264 22.61384337 94356.95457227 -98489.58201579 -8490.68947451 Lr 21.29931501 25.22231741 22.51552846 -122388.43312682 98556.59834964 -60732.41589177 Lr 23.82391738 23.79320910 21.22290825 -817.40829731 2833.43379909 -8554.75227731 Lr 25.35883431 25.25420331 21.19720228 16236.36639729 21910.95506861 -40248.87191171 Lr 25.28047913 24.15215541 22.39409398 32533.48175608 -53699.86508980 23723.16214718 Lr 24.24609838 25.35832550 22.46037099 -43166.33190467 37314.83483165 17899.13477015 Lr 20.75496143 20.78401388 23.84713371 -1391.06927077 -326.04027232 663.40742615 Lr 22.51638122 22.60084478 23.89302787 -8639.40869209 -6018.79570406 1134.92495993 Lr 22.68642411 21.06865781 25.27596507 -26183.26480766 -15123.78977928 13262.25913261 Lr 21.03238047 22.74616567 25.32588683 -1207.15578133 -448.13696474 1807.90078787 Lr 23.84270061 21.09114432 24.06910064 20514.97266974 -2357.23799880 -13334.54911031 Lr 25.33464592 22.83068593 23.99110796 8248.40301149 -4080.32126491 1966.65005573 Lr 25.71243192 21.11740806 25.57246416 323.23065926 -258.33784472 250.97611013 Lr 23.66870279 22.38329374 25.75262255 10453.19295318 12544.61047000 7261.93970811 Lr 20.88815827 24.20886101 23.80540223 -48408.94409558 -43491.17071851 17546.81307526 Lr 22.07707939 25.24517220 23.86140761 62678.54381644 51911.62185426 66800.16793576 Lr 22.97869821 24.29009707 25.17827431 -344477.18052625 25023.26579755 237923.94929269 Lr 20.96454486 25.45811079 25.77263586 -406.81969287 303.80299070 734.02240221 Lr 23.76963072 23.83912585 24.18002509 226030.22348298 -118147.85749904 -280442.31247123 Lr 25.56626284 25.71853352 24.11011080 1033.05670853 839.99018832 178.98747271 Lr 25.49265713 24.00476534 25.57951079 5426.32640780 -2441.97162545 2538.96381784 Lr 24.04281630 25.16307477 25.60083408 118744.24401037 106761.95373561 51584.19139792