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:Z:I:1:forces:R:3 energy=4897.466968924463 pbc="F F F" U 0.19810058 -0.28000791 0.03151538 92 -1137.53752503 -991.31438660 -757.72036031 U 1.70073357 1.20207718 1.09915145 92 -823.66687651 1590.85955597 2586.67900087 U 2.97457781 -0.19002784 -0.11964562 92 1280.58048888 -2663.64619861 -2303.62979427 U 4.21868700 1.40006091 1.20126207 92 2908.64420600 -1294.94588031 161.14209328 U 0.49341274 2.96628797 0.04829640 92 -1112.31372915 735.03395575 -929.54430547 U 1.61067953 4.59788417 1.70385435 92 -156.21824970 722.89518466 -463.20576068 U 3.22822201 3.04639510 -0.13944804 92 -541.78758454 996.84488677 -1615.42799126 U 4.20183975 4.75645612 1.47658089 92 761.82168160 668.04471837 90.81672341 U 0.05071302 0.17378004 2.93099034 92 -308.53976140 -191.85664974 180.54664788 U 1.85685615 1.33046500 4.74900804 92 -1065.28788548 738.37386199 1257.14658204 U 3.16403691 0.03610988 3.25717001 92 -2099.02105900 -3880.57409928 -2931.78093521 U 4.55040946 1.29198434 4.37184449 92 3477.43970041 2281.31953047 2704.70308257 U -0.15216365 3.28335910 3.15154906 92 -1388.81241958 -1028.06514380 -539.73433487 U 1.46942388 4.58774557 4.25372983 92 635.58503783 958.63097165 1322.55778623 U 3.15281416 2.71359425 2.80823915 92 -921.63925692 1139.74360086 964.68167928 U 4.07883733 4.63719522 4.42499003 92 490.75323258 218.65609184 272.76988651