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=48.511854483735995 stress="-9.354429669952574e-05 -3.4986583297772035e-05 -0.000117959632192327 -3.4986583297772035e-05 -0.00018806738212511726 1.4164003653606672e-05 -0.000117959632192327 1.4164003653606672e-05 -0.0001128985452903277" free_energy=48.511854483735995 pbc="F F F" Nb 21.13362859 20.74036825 21.07034430 1.07749027 0.76674462 0.93240362 Nb 22.54852473 22.55473499 22.41561068 -1.98547538 -3.19861258 0.54417492 Nb 24.13661615 20.90480033 20.78768664 -2.59814063 -1.95810209 -2.18215953 Nb 25.29869006 22.33328297 22.26735611 7.55966417 3.71815800 0.93526380 Nb 20.83533445 23.68006708 21.08611608 -1.24954171 -0.46414531 -1.57482140 Nb 22.28574600 25.52598936 22.22329650 2.24961797 2.07740579 1.24316322 Nb 23.96375436 23.90583543 20.75559716 -0.48680250 1.38770671 -1.39208084 Nb 25.35667255 25.79874826 22.27290972 -1.03636057 -2.02093488 1.54946914 Nb 20.88090187 20.92125200 24.05835534 -1.23715706 -1.20183871 -3.72354278 Nb 22.24645637 22.18439176 25.42001865 3.65878018 2.86409503 3.23840157 Nb 24.20070203 20.86774041 23.71510896 -2.38458084 -2.88119222 2.74684175 Nb 25.49793547 22.78187239 25.51001192 1.44431283 -4.21837106 1.83225102 Nb 20.98453339 24.09014185 23.91071078 -1.97946256 -0.56754954 1.21263489 Nb 22.21904386 25.50082602 25.74624097 2.32159604 -1.50454840 -1.37124569 Nb 24.14302402 23.85498893 24.11042859 -4.56765596 5.14546474 -3.24645689 Nb 25.70947124 25.35512851 25.55280714 -0.78628426 2.05571992 -0.74429680