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=76.9467512074333 stress="-0.0013404837226035744 -6.744985186176319e-05 -8.714891816733441e-05 -6.744985186176319e-05 -0.0012799374068029796 -0.0001069301330112638 -8.714891816733441e-05 -0.0001069301330112638 -0.0013010929907814577" free_energy=76.9467512074333 pbc="F F F" K 20.85540510 21.11115480 21.11044915 -3.81886593 -3.01213184 -3.24143977 K 22.70960170 22.31143450 22.33833517 -2.02700502 -1.16829031 -1.77329343 K 23.78829595 20.83509776 21.14041416 2.06522509 -5.20874301 -5.11618954 K 25.27812781 22.51878885 22.32834452 7.29205626 -1.07458539 -2.38891754 K 20.87679405 23.95894820 21.20259391 -5.15993597 1.66632944 -3.79033795 K 22.56504129 25.20865944 22.36550211 -2.76918474 7.64486389 -1.41752237 K 23.78802619 24.22277084 21.18584377 2.90435451 1.91647449 -7.72581771 K 25.68362810 25.69581920 22.64685009 3.98592049 3.59514989 -1.51036112 K 21.26959405 21.17626233 23.85402479 -4.98971377 -4.27111238 2.53604111 K 22.70996341 22.49207130 25.65300231 -1.75150698 -2.16757648 6.68900068 K 24.03848316 20.95774659 23.91852158 2.03016471 -6.89930421 2.21749044 K 25.45789336 22.38825682 25.27041603 5.06746073 -1.63102413 3.95893728 K 21.19178619 24.17895518 24.29140871 -6.94221732 1.41176065 1.86848188 K 22.61455359 25.53253581 25.64904689 -1.73701074 4.67641283 4.51957823 K 23.78091226 24.10609294 23.96603997 2.14383205 1.61336164 1.68757664 K 25.30598025 25.32157598 25.51361598 3.70642663 2.90841492 3.48677317