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=143.40106482246114 stress="-0.00242340499853606 -6.152706782797048e-05 -0.00010385848856004478 -6.152706782797048e-05 -0.002269152750877751 -0.00025353313581631193 -0.00010385848856004478 -0.00025353313581631193 -0.002372106229054011" free_energy=143.40106482246114 pbc="F F F" In 20.85540510 21.11115480 21.11044915 -7.03264965 -5.25486089 -5.88875346 In 22.70960170 22.16342156 22.33833517 -5.11354722 2.19971086 -1.43631173 In 23.78829595 20.83509776 21.14041416 5.50544965 -11.60448320 -11.35516182 In 25.27812781 22.49446427 22.32834452 12.95314298 -1.39884029 -3.70507234 In 20.87679405 23.95894820 21.20259391 -8.57108412 2.46274430 -6.42211974 In 22.56504129 25.20865944 22.42880138 -7.66896731 16.25568403 -0.78929539 In 23.78802619 24.16022526 21.18584377 7.21640972 1.13223865 -15.88900039 In 25.68362810 25.69581920 22.64685009 6.41094893 5.83018909 -2.60671276 In 21.26959405 21.17626233 23.85402479 -9.38362438 -7.59690086 5.21717186 In 22.70996341 22.49207130 25.65300231 -2.90408564 -3.59566860 11.41305138 In 24.03848316 20.95774659 23.91852158 3.54519442 -12.48499520 4.32445044 In 25.45789336 22.38825682 25.27041603 8.84527077 -2.27962534 6.97345414 In 21.19178619 24.17895518 24.29140871 -12.41677762 1.61082394 2.68222772 In 22.61455359 25.53253581 25.64904689 -2.64841309 8.44088387 8.35699266 In 23.78091226 24.10609294 23.96603997 4.74910367 1.25844086 3.07255339 In 25.30598025 25.32157598 25.51361598 6.51362889 5.02465877 6.05252605