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=4.391484564912389 stress="-0.0035467523386254513 0.0003103607409319403 0.0003969328385667464 0.0003103607409319403 -0.0026584568920547296 -0.0010935757232529292 0.0003969328385667464 -0.0010935757232529292 -0.0033438577304797917" free_energy=4.391484564912389 pbc="F F F" U 20.85540510 20.96314185 21.17374842 -5.65042607 -3.03946028 -3.59410996 U 22.70960170 22.31143450 22.27578959 -18.94349244 14.49828701 2.81567964 U 23.78829595 20.83509776 21.14041416 8.93318478 -23.51693343 -23.53044825 U 25.27812781 22.29725743 22.32285880 20.38578212 4.76608372 0.49187243 U 20.87679405 23.80021639 21.12245785 -6.26944043 1.46401373 -2.06312487 U 22.56504129 25.20865944 22.36550211 -45.91755396 41.13191815 29.66858159 U 23.78802619 24.22277084 21.18584377 43.22931695 -26.37688922 -49.86353138 U 25.42759357 25.62963246 22.77817929 7.64606939 4.54653086 -4.51092808 U 21.26959405 21.17626233 23.85402479 -11.89159923 -4.86590849 4.86408197 U 22.96975010 22.21799642 25.65300231 -8.24103550 4.20771224 16.37160434 U 23.82353050 20.95774659 23.91852158 9.22652646 -18.52674792 2.07453396 U 25.45789336 22.57191399 25.27041603 10.74225528 -0.92134397 4.85560117 U 21.19178619 24.38184241 24.37484202 -25.02871960 -15.27071299 -15.43843417 U 22.41040762 25.53253581 25.64904689 13.34722215 20.41628457 23.15026130 U 23.78091226 24.05418748 23.96603997 3.86964748 -2.19691359 8.53472361 U 25.30598025 25.54252089 25.33545096 4.56226261 3.68407960 6.17363671