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=165931.76986830475 stress="-789019.5300841576 51030.17241578101 233520.37631871254 51030.17241578101 -541382.1842349268 -127282.04498625139 233520.37631871254 -127282.04498625139 -699772.7130331714" pbc="F F F" Lr 0.12524549 -0.25349154 -0.27604336 -178.17825211 -248.50012142 -225.74574566 Lr 1.32824816 1.64745286 0.47069055 110091.07059239 -19981.62204928 -72061.51281451 Lr 1.51856327 -0.20088488 1.75641562 -2091.04495195 -2336.52058096 -4208.29755245 Lr 0.18364445 1.63800543 1.39849423 -100066.92034786 -9277.31538961 81499.14337603 Lr 3.49540916 -0.11144013 -0.12653592 -21463.28687020 -25231.17345062 -13392.90068383 Lr 4.39183542 1.21274517 0.22831315 17251.06145113 35834.51194954 -5273.65511784 Lr 4.52768625 -0.07474395 1.36541886 6218.22190901 -12084.73150832 16873.75890476 Lr 3.01724879 1.59794683 1.67682790 -1143.26933783 -5086.19422109 -3037.16697599 Lr 0.11626946 2.61175634 -0.13393732 -19355.92118024 18438.64833582 -16752.28794563 Lr 1.23891771 4.69642037 0.19318756 11245.28673761 6854.93672794 -16895.19480032 Lr 1.29274901 3.14202264 1.61384337 94356.95457227 -98489.58201579 -8490.68947451 Lr 0.29931501 4.22231741 1.51552846 -122388.43312683 98556.59834964 -60732.41589177 Lr 2.82391738 2.79320910 0.22290825 -817.40829731 2833.43379909 -8554.75227731 Lr 4.35883431 4.25420331 0.19720228 16236.36639729 21910.95506861 -40248.87191171 Lr 4.28047913 3.15215541 1.39409398 32533.48175608 -53699.86508980 23723.16214718 Lr 3.24609838 4.35832550 1.46037099 -43166.33190467 37314.83483165 17899.13477015 Lr -0.24503857 -0.21598612 2.84713371 -1391.06927077 -326.04027232 663.40742615 Lr 1.51638122 1.60084478 2.89302787 -8639.40869209 -6018.79570406 1134.92495993 Lr 1.68642411 0.06865781 4.27596507 -26183.26480766 -15123.78977928 13262.25913261 Lr 0.03238047 1.74616567 4.32588683 -1207.15578133 -448.13696474 1807.90078787 Lr 2.84270061 0.09114432 3.06910064 20514.97266974 -2357.23799880 -13334.54911031 Lr 4.33464592 1.83068593 2.99110796 8248.40301149 -4080.32126491 1966.65005573 Lr 4.71243192 0.11740806 4.57246416 323.23065926 -258.33784472 250.97611013 Lr 2.66870279 1.38329374 4.75262255 10453.19295318 12544.61047000 7261.93970811 Lr -0.11184173 3.20886101 2.80540223 -48408.94409558 -43491.17071851 17546.81307526 Lr 1.07707939 4.24517220 2.86140761 62678.54381644 51911.62185426 66800.16793577 Lr 1.97869821 3.29009707 4.17827431 -344477.18052625 25023.26579754 237923.94929269 Lr -0.03545514 4.45811079 4.77263586 -406.81969287 303.80299070 734.02240221 Lr 2.76963072 2.83912585 3.18002509 226030.22348297 -118147.85749904 -280442.31247122 Lr 4.56626284 4.71853352 3.11011080 1033.05670853 839.99018832 178.98747271 Lr 4.49265713 3.00476534 4.57951079 5426.32640780 -2441.97162545 2538.96381784 Lr 3.04281630 4.16307477 4.60083408 118744.24401037 106761.95373561 51584.19139792