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=1233.0041468433733 stress="-0.07479541110112556 0.007848612838049624 0.008700161138112374 0.007848612838049624 -0.06035946500346908 -0.031097228406575177 0.008700161138112374 -0.031097228406575177 -0.06917101946276472" free_energy=1233.0041468433733 pbc="F F F" Xe 20.91870436 21.04860922 21.20118821 -102.50611258 -68.06110131 -77.79009670 Xe 22.70960170 22.31143450 22.33833517 -196.13628283 421.60423903 200.91736381 Xe 23.78829595 20.83509776 21.14041416 274.82915839 -417.79987238 -358.34801589 Xe 25.27812781 22.79098848 22.26215777 274.49386022 -129.97568027 62.53267129 Xe 20.87679405 24.09027739 21.46238060 -400.53834106 -211.07308428 -213.75074686 Xe 22.56504129 25.20865944 22.36550211 -1193.81455476 1542.67575043 1382.82586955 Xe 23.78802619 24.22277084 21.18584377 1313.77826993 -947.24300106 -1609.08582557 Xe 25.40955323 25.48086654 22.83050726 133.61834975 127.47324854 -82.64114722 Xe 21.26959405 21.37914956 23.93745809 -375.94412337 -298.46562947 -108.19719132 Xe 22.50581744 22.44016584 25.47483729 236.00990399 65.14567525 397.91104566 Xe 24.25067569 20.95774659 23.84337532 -2.95436746 -143.02783571 19.40121933 Xe 25.58780002 22.17046132 25.55319800 67.06432941 43.25672403 78.29179781 Xe 21.19178619 24.24105518 24.42503730 -493.27701335 -276.31168238 -342.15289431 Xe 22.44158300 25.53253581 25.64904689 298.47897886 418.31072120 402.32712711 Xe 23.78091226 24.10609294 24.03638427 76.11366408 -191.52557078 119.57646334 Xe 25.35450498 25.37631097 25.42922666 90.78428078 65.01709916 128.18235997