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=41309.555946986526 pbc="F F F" Ba 0.15569519 -0.10847653 -0.04374509 56 -4730.64972117 -1306.48500193 -2405.80626571 Ba 1.76845365 1.43256865 1.58972426 56 -10712.92879061 5472.11952649 6762.02155474 Ba 2.73017696 -0.01207884 0.00385152 56 8921.03629490 -9159.89540992 -9955.60647831 Ba 4.74566581 1.77642377 1.37675748 56 8011.95919773 -4916.25183284 1756.48746464 Ba -0.10083690 3.22337938 0.24934237 56 -17084.76522874 -13819.57352364 -16779.46361531 Ba 1.24574113 4.45483274 1.53068862 56 15037.08812490 20856.80130312 11888.65962687 Ba 2.88302957 2.84442536 0.17091975 56 3384.26362715 11287.74126456 -19091.59403520 Ba 4.32567919 4.53209935 1.48051973 56 10229.63111650 12819.60173401 -8696.98094495 Ba -0.02292570 0.27861409 2.70224922 56 -8672.91702594 -10780.78360672 4430.89921682 Ba 1.26456712 1.74041959 4.74866818 56 7713.00773583 -6944.37460910 13505.25924890 Ba 3.00355292 -0.12299073 2.87888413 56 5665.33608297 -9570.28594206 6604.29249325 Ba 4.50683392 1.54825179 4.46787082 56 3013.79769420 -3203.11561208 3145.71612199 Ba 0.11468103 2.75953013 3.01393226 56 -13424.77671857 10809.83556979 -4788.64338806 Ba 1.72699235 4.74732680 4.49147032 56 -5227.17847366 3986.23258963 3043.27420439 Ba 3.16936209 3.23073760 3.01291827 56 -21380.20348386 -21600.49834392 -12846.85655970 Ba 4.28571958 4.26252696 4.60269921 56 19257.29956836 16068.93189460 23428.34135563