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=45599.99457394925 pbc="F F F" Ra -0.11016958 0.16192166 -0.07597289 88 -4430.18864044 -5550.81527359 -1599.40902152 Ra 1.61956204 1.35843509 1.78200802 88 -10964.80232858 13775.18667480 -11129.84034607 Ra 2.56152252 0.10980151 -0.19050459 88 3775.60195101 -6028.17251435 -6605.06711758 Ra 4.55272043 1.35455442 1.28667192 88 9975.29960280 -6438.00823812 5887.84593745 Ra 0.10698655 2.71887001 0.15077394 88 -4228.24830538 4781.21285412 -4219.93853732 Ra 1.49264796 4.49310094 1.53372692 88 -7344.27689238 10164.06298375 -7519.07133346 Ra 3.26277311 2.79854282 -0.15609736 88 -5339.10231775 7479.91611587 -9992.25269824 Ra 4.33941661 4.44359398 1.76206545 88 40458.43042457 38148.98444262 -33955.78664332 Ra -0.00443607 0.02560301 3.14215469 88 -7477.78903259 -6228.64927830 2377.81316499 Ra 1.66554149 1.39849385 4.72000395 88 -6864.93537854 3410.81084924 10078.80838422 Ra 2.91948935 -0.00298397 3.09518319 88 12715.43894361 -24103.00099076 4268.49244520 Ra 4.19797192 1.52071586 4.58265705 88 11404.01706246 2468.18013675 6693.90051914 Ra -0.12714910 2.96003550 3.43655370 88 -6284.54643014 -221.39974803 -1127.38085763 Ra 1.74477366 4.57687107 4.25162374 88 -7963.92051902 13902.98064660 14426.68563535 Ra 3.01905723 3.19660306 2.86677805 88 -23123.85569825 -49468.16813871 25246.12238228 Ra 4.59472068 4.42515845 4.41233893 88 5692.87755864 3906.87947811 7169.07808651