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=-139.05680013585066 stress="-0.00018727224228143143 0.00010146560982141643 0.00010665214147153113 0.00010146560982141643 -0.0001543797538401657 -3.087678523849534e-06 0.00010665214147153113 -3.087678523849534e-06 -0.0001821227061372586" free_energy=-139.05680013585066 pbc="F F F" Mo 20.85540510 21.11115480 21.11044915 0.31448726 0.57802694 0.44788172 Mo 22.70960170 22.31143450 22.19032222 -4.24049250 3.02746357 -1.02802901 Mo 23.78829595 20.83509776 21.14041416 1.57051075 -2.41308002 -1.31859738 Mo 25.27812781 22.49446427 22.39164379 1.59587256 -0.20307856 -0.32298928 Mo 20.87130833 23.95894820 21.12245785 -0.04838503 -0.67762749 0.08834036 Mo 22.56504129 25.20865944 22.36550211 -4.66275099 4.56082006 2.34619902 Mo 23.78802619 24.22277084 21.18584377 5.09820664 -1.45374640 -4.57385788 Mo 25.68362810 25.69581920 22.39081556 -1.04814673 -0.98525214 0.64869507 Mo 21.36033311 21.44846196 23.78783804 -1.21970131 -0.47510383 1.17736163 Mo 22.84129260 22.75185799 25.65300231 -0.50223473 -1.24319271 0.83469355 Mo 23.76440828 20.95774659 23.70356891 1.86034936 -1.70538125 1.88653586 Mo 25.64155053 22.38825682 25.47330326 -0.99258120 0.79632796 -0.65201640 Mo 21.19178619 24.17895518 24.37484202 -2.03108764 -1.12398392 -1.45657451 Mo 22.61455359 25.32838985 25.64904689 1.20415324 1.42025814 2.06416248 Mo 23.78091226 24.05418748 23.96603997 3.90490765 0.97657094 0.87572541 Mo 25.52692516 25.55329143 25.51361598 -0.80310733 -1.07902128 -1.01753064