16 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=682.275652459551 stress="-0.017271558172561107 -0.0016686684502422013 -0.001944864984651048 -0.0016686684502422013 -0.01711786681859708 -0.001732096930076924 -0.001944864984651048 -0.001732096930076924 -0.01607624356272973" free_energy=682.275652459551 pbc="F F F" I 21.20384132 20.79224623 20.73214964 -32.27339655 -27.03839579 -19.17392880 I 22.60379879 22.75551247 22.60203790 -26.96223934 -6.54120751 -43.64742144 I 23.99188881 21.06482696 20.84620060 12.05525184 -49.83802510 -49.28012475 I 25.51821382 22.31593728 22.39481420 84.88090574 -8.75449479 -2.55281791 I 21.15586213 23.90395547 20.83226600 -52.13827154 2.07171965 -59.69102449 I 21.97713123 25.62036030 22.45631248 1.54523855 77.38592805 -16.48492829 I 24.24843919 24.14432661 20.76023492 15.40297673 29.26387635 -57.10727153 I 25.74849743 25.75911890 22.69019325 29.14693263 30.39003003 -26.05683342 I 21.19877714 21.10881314 24.11952745 -92.66341334 -68.59757640 -6.37482193 I 22.60031152 22.50300465 25.35431870 -61.20427738 10.30882384 143.76531375 I 23.78011711 21.13572127 24.24634627 56.89380610 -143.05575708 -22.08714442 I 25.23387496 22.58501927 25.56603388 101.17455015 -25.86010073 85.24052080 I 21.00693356 24.33563053 24.51749885 -113.98769380 -15.78909682 -2.06196273 I 22.39729322 25.68883157 25.49955875 17.14779901 82.38776727 66.73822508 I 24.04313966 23.94832183 24.25980354 26.47495859 74.03821525 -35.75809294 I 25.46667242 25.77143892 25.40295338 34.50687259 39.62829379 44.53231304