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=832.9007825419782 stress="-3877.5841569851664 -482.11889363805494 -65.11668654387358 -482.11889363805494 -4865.720687885397 -1821.8613531008034 -65.11668654387358 -1821.8613531008034 -4123.895036320608" pbc="F F F" Ts -0.21141880 0.23604147 -0.02567874 -21.56016462 -19.61232941 -29.16823148 Ts 1.32588640 1.63989415 1.78243766 928.55164637 -885.38430054 -769.05253970 Ts 2.86931801 0.18159391 0.11077116 -114.49333193 -145.03054607 -200.88264592 Ts 4.26170228 1.50275623 1.56178582 347.78453030 252.70567702 -147.93031077 Ts 0.20472649 3.20545541 0.13730363 -252.90951480 -161.33235409 -319.71878863 Ts 1.47602510 4.70521214 1.38334154 219.41621427 318.17247995 167.97986518 Ts 3.24195650 3.33928045 -0.18863950 -147.68344992 -100.10334148 -255.90963887 Ts 4.57376597 4.21639626 1.56507013 271.73755419 225.30147282 49.83466517 Ts 0.08931018 -0.19220817 2.87150375 -141.39157165 -177.13694214 28.47810274 Ts 1.67241000 1.20199597 4.32405900 10.04016926 13.49027298 191.86555887 Ts 3.29048615 -0.24471837 2.77123764 -140.90089613 -350.20673029 151.22830152 Ts 4.73311445 1.36928247 4.22234729 142.52322434 -58.71776757 140.32301670 Ts 0.12141404 3.02763863 2.80361633 -919.88855204 925.65423291 796.32402351 Ts 1.76976202 4.57345857 4.54215290 -113.90533474 105.87976748 98.00952617 Ts 3.20125901 3.04877209 3.21931897 -660.46738688 -557.15724094 -392.20210878 Ts 4.49224057 4.44931394 4.26702158 593.14686396 613.47764936 490.82120430