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=-3.660033886316416 stress="-0.00046316610259386346 -5.4027400356574833e-05 2.9210118507866775e-05 -5.4027400356574833e-05 -0.00040056561600804955 -4.288112743214045e-05 2.9210118507866775e-05 -4.288112743214045e-05 -0.0004948479108492313" pbc="F F F" Mg 21.11490714 21.13362859 20.76561014 -0.62156112 -1.17344234 -0.92505065 Mg 22.57034430 22.54852473 22.30678919 -2.19696877 0.87786669 1.36428377 Mg 24.07049851 21.13661615 20.90480033 0.17904616 -2.13970330 -2.59030244 Mg 25.37719504 22.29869006 22.61041876 4.83013490 1.03605294 -1.16449522 Mg 20.82724151 23.83533445 20.90579718 -1.27412898 0.87231909 -0.60668663 Mg 22.58611608 25.53369179 22.34024665 -1.73397137 2.47448858 0.57922388 Mg 23.72329650 23.95219501 20.90583543 2.02404443 0.61135505 -3.73356266 Mg 25.25559716 25.20178472 22.79874826 3.28790549 2.77532820 -2.98342122 Mg 20.80568685 21.09904080 23.62852728 -0.89896342 -0.68883792 0.40123708 Mg 22.75245770 22.07742134 25.48193431 -2.30108913 1.20566138 2.83740571 Mg 23.80203062 21.20070203 23.70342959 -0.13072925 -5.15690116 0.51042965 Mg 25.33385759 22.21796029 25.55883665 1.83756493 0.38647844 1.14830580 Mg 21.01001192 23.98453339 24.10170120 -2.09073568 -1.09261731 -1.23395228 Mg 22.37793365 25.21904386 25.50082602 1.27335707 1.55063170 1.89034118 Mg 24.24624097 24.14302402 23.85498893 -2.79806040 -2.27387489 2.81295684 Mg 25.52704417 25.70947124 25.35512851 0.61415514 0.73519485 1.69328719