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=672.4205052607717 stress="-0.015896520818225086 -0.0008084428842993897 -0.0019398061443812353 -0.0008084428842993897 -0.018068711077801912 -0.001274908043720912 -0.0019398061443812353 -0.001274908043720912 -0.01643141675699416" free_energy=672.4205052607717 pbc="F F F" I 21.01283276 21.20071341 20.82858036 -23.34510328 -37.73139316 -31.59523760 I 22.64720807 22.58942344 22.45706424 -45.71261215 -33.81475436 -36.11746912 I 24.50140059 20.71321713 21.21736445 5.32328463 -68.39205929 -42.94202153 I 25.28604778 22.70384132 22.29224623 114.78540524 -14.12942006 -8.36200478 I 20.73214964 24.00041025 21.25551247 -62.42924679 14.99387487 -47.17366659 I 22.28310943 25.49188881 22.56482696 5.12911636 90.99310391 -18.90768376 I 24.03503217 24.01821382 20.70575425 -3.58961891 30.47095327 -94.60674080 I 25.46963223 25.65586213 22.40351422 37.25211093 49.92582392 -6.12223695 I 20.83226600 20.73049600 24.16349996 -36.92733433 -34.16469299 6.69240116 I 22.45631248 22.74843919 25.64432661 -22.33382648 -55.55647591 119.64387251 I 23.76023492 21.24849743 24.25911890 28.83075432 -119.41409173 19.73527295 I 25.69019325 22.69877714 25.60881314 63.88578079 -31.49828452 51.10841771 I 21.13250256 24.04863335 24.31422934 -132.08938515 -5.57175720 -26.44011913 I 22.32099112 25.28011711 25.63572127 14.97427203 101.04793757 79.37765241 I 24.05791531 23.73387496 24.08501927 31.94302351 71.42809421 10.45525263 I 25.56603388 25.50693356 25.66501753 24.30337928 41.41314148 25.25431090