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=24061.93642333887 stress="-98069.37958835706 -9303.288825667696 -20204.61575986619 -9303.288825667696 -105983.63406083877 10316.097613822094 -20204.61575986619 10316.097613822094 -103138.6882359226" pbc="F F F" Th -0.25284768 -0.09511739 -0.00362877 -398.63853250 -826.50289291 -1072.51246918 Th 1.66858499 1.38962003 1.82444312 -8457.88515328 11238.50132278 -12499.71123768 Th 2.88098002 -0.12285304 0.14094388 865.78668909 -2563.99682911 -4051.35352919 Th 4.72550615 1.68720495 1.29528535 3935.18163094 -2673.10386117 5.51642296 Th -0.25741736 2.78056037 0.10011236 -692.54681623 456.28215606 -1798.03016702 Th 1.68034613 4.66141521 1.49515302 691.14426230 2787.57626860 -1686.04022263 Th 3.05073174 2.93787239 -0.23344085 -1542.17069660 666.86895919 -3323.32472951 Th 4.56010624 4.29195370 1.63996193 3668.25617631 5012.98577083 -3279.17378821 Th -0.15387589 0.08548971 2.80044425 -4810.85258206 -3565.53041595 2760.55068747 Th 1.77106928 1.51842487 4.33150161 -11009.17461584 -6164.33184789 12095.51262963 Th 3.15964562 -0.00870898 2.78500771 11424.47518363 -13313.94636510 7017.30363649 Th 4.33153131 1.67488701 4.69618750 11908.21284346 -9947.68480152 12949.83535208 Th -0.03643353 3.19892576 2.76871831 -5351.26450261 -1699.51642081 638.66124463 Th 1.33531251 4.61043288 4.33392896 870.99562350 3079.25593221 3572.37359411 Th 3.20822625 2.92339877 3.21034385 -10974.24632527 2941.40746688 -22429.57982049 Th 4.31068517 4.50163315 4.33171050 9872.72681516 14571.73555792 11099.97239655