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=672.420505261 stress="-9.683830380318968 -0.4924866172449088 -1.1816896217537212 -0.4924866172449088 -11.007083579434498 -0.7766475058959549 -1.1816896217537212 -0.7766475058959549 -10.009677878736554" pbc="F F F" I 0.01283276 0.20071341 -0.17141964 -23.34510328 -37.73139316 -31.59523760 I 1.64720807 1.58942344 1.45706424 -45.71261215 -33.81475436 -36.11746912 I 3.50140059 -0.28678287 0.21736445 5.32328463 -68.39205929 -42.94202153 I 4.28604778 1.70384132 1.29224623 114.78540524 -14.12942006 -8.36200478 I -0.26785036 3.00041025 0.25551247 -62.42924679 14.99387487 -47.17366659 I 1.28310943 4.49188881 1.56482696 5.12911636 90.99310391 -18.90768376 I 3.03503217 3.01821382 -0.29424575 -3.58961891 30.47095327 -94.60674080 I 4.46963223 4.65586213 1.40351422 37.25211093 49.92582392 -6.12223695 I -0.16773400 -0.26950400 3.16349996 -36.92733433 -34.16469299 6.69240116 I 1.45631248 1.74843919 4.64432661 -22.33382648 -55.55647591 119.64387251 I 2.76023492 0.24849743 3.25911890 28.83075432 -119.41409173 19.73527295 I 4.69019325 1.69877714 4.60881314 63.88578079 -31.49828452 51.10841771 I 0.13250256 3.04863335 3.31422934 -132.08938515 -5.57175720 -26.44011913 I 1.32099112 4.28011711 4.63572127 14.97427203 101.04793757 79.37765241 I 3.05791531 2.73387496 3.08501927 31.94302351 71.42809421 10.45525263 I 4.56603388 4.50693356 4.66501753 24.30337928 41.41314148 25.25431090