32 Lattice="72.625 0.0 0.0 0.0 72.625 0.0 0.0 0.0 72.625" Properties=species:S:1:pos:R:3:forces:R:3 energy=13.305599272557336 stress="-4.418297601612381e-05 -1.2336759060493853e-05 2.9272704995872922e-05 -1.2336759060493853e-05 -3.789831357037913e-05 6.206637569718584e-05 2.9272704995872922e-05 6.206637569718584e-05 -7.640687119810092e-05" free_energy=13.305599272557336 pbc="F F F" In 36.38897430 36.36656380 36.32480933 -1.76793843 -1.67038479 -2.01602547 In 39.15252892 38.77396109 36.12720628 3.10150021 3.46822657 0.50650046 In 38.66261251 36.37327560 38.73043153 2.72607152 0.09259228 2.74082523 In 36.12067148 38.83248211 38.72290867 -0.05835187 1.92876281 1.35050803 In 41.42239123 36.17580072 36.20425346 1.69063855 0.65372536 -0.43122312 P 43.89018212 39.01267613 36.12517875 0.91516070 -2.79217077 -1.51150026 In 44.18138640 36.11474534 38.92963279 -0.51222352 1.94518593 1.06325505 P 41.32085240 39.02392149 38.66927455 -2.02591177 -4.83093229 -2.41087235 In 36.29347584 41.42815325 36.35153131 1.06593109 3.01128821 0.76053185 P 39.00405451 44.24618668 36.31912729 0.39089000 0.92207610 -0.45223397 P 38.68994938 41.47964912 38.91988161 -3.51527880 0.26349267 0.23081130 P 36.20273936 44.03353159 38.71854370 -0.86299882 -0.90223776 1.30318822 P 41.35283778 41.41368149 36.35247772 -0.66062295 1.30380370 -2.27178880 In 44.22314141 44.30958817 36.26195594 -0.29260600 -1.11809216 0.19027731 P 44.30779488 41.26312236 39.01279140 2.08416418 2.59588638 -1.71102887 In 41.21772304 44.08447974 39.30110193 0.34094562 -2.98458617 -0.63852618 In 36.11550405 36.18771057 41.25161388 0.32836177 -0.76970015 1.75488032 P 38.92244110 39.15139260 41.48847887 -5.75183398 0.21673104 0.75221756 P 38.92170865 36.27822661 44.12451227 -2.89496282 -1.03873046 0.71132041 In 36.06814275 38.97072166 44.28189509 0.52842928 -1.13728200 0.65395214 P 41.62481512 36.39053693 41.72795136 1.90413951 -3.18085460 -1.42536033 P 44.12103377 38.97021685 41.39550169 2.77293943 -3.53059442 0.55691636 In 44.33956643 36.14249834 43.93636132 -1.58119153 1.33719912 -1.05826417 P 41.26685830 38.87498111 44.33641121 -0.00289589 1.25978954 2.84744347 In 36.32217733 41.63490871 41.45470880 0.07392940 0.77089050 -1.75959660 In 38.69659346 43.89965330 41.50663231 -0.71300768 -0.01628245 -1.28678216 In 38.71191776 41.42433784 43.86965755 2.08261665 -1.82573804 -0.26836243 P 36.47262551 44.23306528 44.21871582 1.56989407 -1.74677970 -1.57551038 P 41.29576495 41.63769730 41.40242547 -2.98298200 5.05954899 1.66784743 P 43.99246879 43.97486523 41.75925641 -0.96708094 3.05998274 -0.21374016 P 44.19639020 41.45884672 43.98521359 0.54916392 0.73236368 2.94238142 In 41.62160762 43.94963958 44.26341728 2.46511111 -1.07717982 -1.00204130