16 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=682.27565246 stress="-11.204177951664285 -1.0824766400372228 -1.2616472215349483 -1.0824766400372228 -11.104477318852751 -1.1236231288584 -1.2616472215349483 -1.1236231288584 -10.428769186400068" pbc="F F F" I 0.20384132 -0.20775377 -0.26785036 -32.27339655 -27.03839579 -19.17392880 I 1.60379879 1.75551247 1.60203790 -26.96223934 -6.54120751 -43.64742144 I 2.99188881 0.06482696 -0.15379940 12.05525184 -49.83802510 -49.28012475 I 4.51821382 1.31593728 1.39481420 84.88090574 -8.75449479 -2.55281791 I 0.15586213 2.90395547 -0.16773400 -52.13827154 2.07171965 -59.69102449 I 0.97713123 4.62036030 1.45631248 1.54523855 77.38592805 -16.48492829 I 3.24843919 3.14432661 -0.23976508 15.40297673 29.26387635 -57.10727153 I 4.74849743 4.75911890 1.69019325 29.14693263 30.39003003 -26.05683342 I 0.19877714 0.10881314 3.11952745 -92.66341334 -68.59757640 -6.37482193 I 1.60031152 1.50300465 4.35431870 -61.20427738 10.30882384 143.76531375 I 2.78011711 0.13572127 3.24634627 56.89380610 -143.05575708 -22.08714442 I 4.23387496 1.58501927 4.56603388 101.17455015 -25.86010073 85.24052080 I 0.00693356 3.33563053 3.51749885 -113.98769380 -15.78909682 -2.06196273 I 1.39729322 4.68883157 4.49955875 17.14779901 82.38776727 66.73822508 I 3.04313966 2.94832183 3.25980354 26.47495859 74.03821525 -35.75809294 I 4.46667242 4.77143892 4.40295338 34.50687259 39.62829379 44.53231304