16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=18.100406156590306 stress="-0.00335064264882149 -6.275394960305384e-05 -0.0017395405592994402 -6.275394960305384e-05 -0.003841261378367012 -0.0005966932983978786 -0.0017395405592994402 -0.0005966932983978786 -0.0038646498694668726" pbc="F F F" Tl 21.26722750 21.43432528 20.96884275 -18.20022172 -7.48197240 -13.18381416 Tl 22.73459465 22.52338006 22.49764003 -4.35263004 14.70138552 20.70392147 Tl 23.74907900 20.76581471 21.15703673 12.02165000 -11.40035426 -7.51514557 Tl 25.68081575 22.62405073 22.73288132 26.77751182 -23.13461249 -20.94961509 Tl 21.08372218 24.50651071 20.80313730 -2.91726336 -3.91481465 -3.75955493 Tl 22.55512392 25.56307310 22.59544328 9.58900253 13.11518525 -3.64677673 Tl 24.29233329 24.04748218 21.28814432 -21.25413598 -19.60847705 -32.73146074 Tl 25.47998109 25.74451447 22.24229919 21.30171965 30.29430937 17.80671927 Tl 20.91075645 21.15060794 24.09014964 0.21180604 0.06733685 -0.45717522 Tl 22.45500598 22.91012146 25.68318743 15.12846565 -23.51024853 21.08477968 Tl 24.08050854 20.86113771 24.01656687 -1.93899099 -4.78148595 1.96204402 Tl 25.59751990 22.67257923 25.21710157 40.66640114 -35.05387623 47.49578978 Tl 21.27632726 24.23582380 24.18083354 -48.43073835 -18.31971812 -41.61118940 Tl 22.43960990 25.50945867 25.63604867 24.15438852 31.77164241 30.40898274 Tl 24.24341925 23.93498621 24.00962102 -61.90389393 43.58749592 -28.37985414 Tl 25.21442525 25.47718928 25.54316308 9.14692900 13.66820435 12.77234902