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=-3.66003388258115 stress="-0.0004631661351981038 -5.402741726050851e-05 2.921010310109828e-05 -5.402741726050851e-05 -0.0004005656480939843 -4.288113817883808e-05 2.921010310109828e-05 -4.288113817883808e-05 -0.0004948479456026259" pbc="F F F" Mg 21.11490714 21.13362859 20.76561014 -0.62156170 -1.17344316 -0.92505146 Mg 22.57034430 22.54852473 22.30678919 -2.19696837 0.87786691 1.36428404 Mg 24.07049851 21.13661615 20.90480033 0.17904638 -2.13970332 -2.59030244 Mg 25.37719504 22.29869006 22.61041876 4.83013489 1.03605299 -1.16449509 Mg 20.82724151 23.83533445 20.90579718 -1.27412941 0.87231956 -0.60668695 Mg 22.58611608 25.53369179 22.34024665 -1.73397121 2.47448856 0.57922400 Mg 23.72329650 23.95219501 20.90583543 2.02404457 0.61135515 -3.73356264 Mg 25.25559716 25.20178472 22.79874826 3.28790551 2.77532820 -2.98342121 Mg 20.80568685 21.09904080 23.62852728 -0.89896373 -0.68883819 0.40123739 Mg 22.75245770 22.07742134 25.48193431 -2.30108896 1.20566143 2.83740598 Mg 23.80203062 21.20070203 23.70342959 -0.13072903 -5.15690115 0.51042974 Mg 25.33385759 22.21796029 25.55883665 1.83756470 0.38647855 1.14830553 Mg 21.01001192 23.98453339 24.10170120 -2.09073561 -1.09261719 -1.23395218 Mg 22.37793365 25.21904386 25.50082602 1.27335711 1.55063167 1.89034114 Mg 24.24624097 24.14302402 23.85498893 -2.79806030 -2.27387485 2.81295695 Mg 25.52704417 25.70947124 25.35512851 0.61415515 0.73519484 1.69328721