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=6398.350616968626 stress="-26881.592326442755 -8615.905257931394 -5109.156194189982 -8615.905257931394 -26743.05930375852 -8734.166987141638 -5109.156194189982 -8734.166987141638 -28949.176165939272" pbc="F F F" Nd -0.14592564 0.01821320 0.09733105 -334.62318459 -456.64488618 -427.18889820 Nd 1.30140023 1.45753923 1.79049432 2809.96152922 -580.94020893 -2033.23982090 Nd 2.95660798 0.14934691 -0.00234717 -394.39384508 -744.83222063 -871.24720049 Nd 4.52619395 1.32160767 1.58534892 2178.49608884 808.81952715 -730.83038437 Nd -0.03778022 2.87086984 0.03406005 -483.65715634 371.08870267 -861.36882280 Nd 1.73243734 4.67331234 1.55484481 -661.68612557 2336.36534113 -10.90732888 Nd 2.90810769 3.02014666 0.23577511 -363.38625425 -1568.62461218 -2263.05478491 Nd 4.64284204 4.38948207 1.21495917 1818.97425575 1418.46185566 51.79354395 Nd -0.11194738 0.07089064 3.04784111 -2242.66404097 -2173.46558100 840.46523380 Nd 1.36497214 1.42288512 4.54346672 319.96000983 462.04212664 1364.33793888 Nd 3.14696595 0.05257092 3.09093899 -3934.54202310 -4665.11401472 -2823.60365015 Nd 4.38934763 1.16435801 4.51829145 3698.38251065 2935.63438723 4310.43996579 Nd 0.05017636 3.19295235 2.70762243 -3298.28043706 944.85838000 546.75804305 Nd 1.35790677 4.24129422 4.43442337 498.93534357 1247.81079902 1780.83872301 Nd 3.25346659 3.18496642 2.98610174 -1078.61219835 -1921.37922411 -404.90700683 Nd 4.55245351 4.60410473 4.32704558 1467.13552746 1585.91962824 1531.71444905