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=-64.10810146361914 stress="-0.00033770430038632826 -0.0008581801522513213 -0.0004835993186853202 -0.0008581801522513213 0.00014101925800225702 -0.0004759687202057294 -0.0004835993186853202 -0.0004759687202057294 -0.00035766658836817214" pbc="F F F" Rg 21.00461502 20.87279350 21.03670158 2.49447170 3.59928211 3.31644717 Rg 22.38009595 22.77460150 22.72625071 13.14655807 -1.26075910 6.96597923 Rg 24.26746731 20.80635817 20.83727867 -0.84860380 2.88338900 3.56185283 Rg 25.61878673 22.49108564 22.55860470 -6.22698218 2.51591024 2.07666862 Rg 21.09349352 23.78141809 21.19062768 -3.04463461 4.35686020 -3.51383070 Rg 22.37875283 25.57496200 22.69065672 3.26708008 -6.71960616 1.32038695 Rg 24.14993272 24.46076534 20.90340675 -2.29646638 -1.82949136 5.79324895 Rg 25.51670748 25.17777771 22.83951776 14.16141781 8.02593341 -14.45662555 Rg 21.25353150 21.16084163 23.95790792 -11.14242048 -10.05727123 -12.19660109 Rg 22.56440269 22.21837808 25.33569686 11.65695294 16.74364201 9.58355563 Rg 24.05947164 21.00505317 24.01522104 0.72574750 3.94319734 -4.14102942 Rg 25.34825566 22.55335210 25.64225781 -4.66846167 2.22695780 -4.86162246 Rg 21.04278481 24.16642262 24.14507653 -21.34770054 -24.50218318 -23.45609342 Rg 22.33126097 25.29471125 25.34714501 25.64291058 20.20628366 20.68320855 Rg 24.10719108 24.26324146 24.17069824 -33.87642273 -32.65323232 -5.87935771 Rg 25.22076488 25.43864783 25.56236140 12.35655370 12.52108760 15.20381242