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=13945.601226392424 stress="-60627.33391121181 2650.3522611317276 -573.5465617657028 2650.3522611317276 -62404.03964197458 3895.8481093354567 -573.5465617657028 3895.8481093354567 -62389.80366286317" pbc="F F F" I 0.02851723 -0.11467863 0.08894785 -1073.99139709 -779.66400469 -499.00498283 I 1.22508857 1.32745872 0.23844060 2485.64704682 -382.82033084 -1862.40068370 I 1.47191770 -0.02355057 1.38739394 2101.10977021 -1747.79003660 129.49985105 I 0.27311124 1.76773056 1.76722750 -1277.80537002 -294.95841499 -798.47276912 I 3.29456102 -0.08326862 0.23459465 -1258.01519104 -1100.78310903 -1597.13725279 I 4.44637518 1.45896149 0.01966263 1157.06032274 300.43271489 -1250.26636511 I 4.26581471 0.33354059 1.68081575 2799.80033429 -2862.86163422 -2718.04522619 I 3.12405073 1.73288132 1.33147265 -6190.83182907 -3758.72053162 -70.55303822 I 0.21284640 2.73061470 0.05512392 -1887.87526883 2037.01449418 -1270.52101277 I 1.56307310 4.59544328 0.29233329 2021.08757277 2505.58143944 -3389.44470252 I 1.54748218 3.28814432 1.46764050 6280.86521027 -6052.32945874 746.45244446 I 0.24451447 4.24229919 1.36519249 -8087.07687766 6030.20465301 -1435.38779211 I 3.26855863 3.34502058 -0.04499402 -1897.01897457 -991.17020425 -1741.41904692 I 4.61673032 4.46832629 0.28968006 1687.34641933 1561.12824468 -34.26702661 I 4.25629234 2.88976751 1.46880060 6973.05187808 2407.14757927 1000.03046990 I 3.17257923 4.21710157 1.77632726 -2562.33549736 5564.62291596 -5999.40308908 I 0.23582380 0.18083354 2.64322469 -1867.53588269 -1430.43670032 1894.39843261 I 1.50945867 1.63604867 3.24341925 1857.84265418 -582.90260338 -2007.58416903 I 1.43498621 0.00962102 4.33091240 368.82893880 -1184.84962933 525.06468463 I 0.18187254 1.45261592 4.43427816 -2380.65581940 -442.48682625 1440.47879462 I 3.15165236 0.22803184 2.99694561 -4263.01011156 -1074.76865101 -2508.54173414 I 4.72808768 1.44943873 2.89080859 1467.95089218 2425.40042167 2539.14976245 I 4.12958804 -0.13773499 4.33202087 3340.64614430 -2442.54301693 3083.79041473 I 3.08675528 1.31550818 4.38961996 -706.86848027 2908.39037839 2171.29978872 I 0.25850264 3.25887220 2.76151150 -3011.16235254 -1778.68088562 1979.72011303 I 1.42561606 4.60484537 3.14024060 1560.27753800 2516.12585233 -1009.00233768 I 1.12801486 3.06302862 4.29531674 3157.43131937 -1346.10563823 3248.51915623 I 0.03565267 4.37560427 4.26336510 -3703.09639938 3050.59628155 1754.92077711 I 2.78076782 3.26733980 3.07436666 -1383.82888844 -5134.40539323 3085.27740986 I 4.34465134 4.26861130 2.99382625 4105.90979029 1072.88385584 2295.37814250 I 4.59291310 3.26368010 4.70175051 392.41510052 -439.44658084 436.13096613 I 3.00906357 4.45387127 4.40786570 -206.16259224 1448.19481891 1861.34002079