{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.41643e-10 0.0 0.0 ] "source-value" [ 5.41643 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] "source-value" [ 0.0584288 5.39313 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] "source-value" [ -0.0447548 0.203328 5.3475 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.439328144371204e-09 -3.674958978250963e-09 4.807353861836077e-09 ] [ -2.644571155323619e-09 1.844566396972266e-09 -9.57172196580674e-10 ] [ 5.25836289558505e-10 3.576902564704762e-10 1.753312184487333e-09 ] [ -3.002377729816766e-09 1.153219334431624e-09 -4.530746880226372e-09 ] [ 6.012919190387155e-10 4.968364120690387e-10 2.785128828525106e-09 ] [ -3.622920441825041e-09 3.518226210538865e-09 -4.509094744937557e-09 ] [ 2.469217410271597e-09 -2.753774552491375e-09 1.160852904941426e-09 ] [ 2.234195563725404e-09 -9.418050797399328e-10 -5.096339580453409e-10 ] ] "source-value" [ [ 2.1466598 -2.293729 3.0005143 ] [ -1.6506115 1.1512878 -0.5974199 ] [ 0.3282012 0.2232527 1.0943314 ] [ -1.8739368 0.7197829 -2.8278698 ] [ 0.3752969 0.3101009 1.7383407 ] [ -2.2612491 2.1959041 -2.8143556 ] [ 1.5411643 -1.7187709 0.7245474 ] [ 1.3944752 -0.5878285 -0.3180885 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.71939386453245e-18 "source-value" -35.697649 } }