{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3212941 2.5726909 -0.8857304 ] [ -0.4732748 -0.3135758 -0.5917256 ] [ 0.1748614 0.0992443 -0.6850365 ] [ 0.0274745 -0.0763142 -1.0179702 ] [ 0.8924152 -0.212906 0.3646905 ] [ 0.7974962 -2.420685 -1.2765448 ] [ -0.7460091 0.9611391 2.0595919 ] [ -1.9942574 -0.6095932 2.0327251 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.116946533662059e-09 4.12190524648443e-09 -1.419096550903473e-09 ] [ -7.582698260210231e-10 -5.024038197478572e-10 -9.480489300596302e-10 ] [ 2.801588492685276e-10 1.590068985176862e-10 -1.097549473737141e-09 ] [ 4.401900193083299e-11 -1.222688280824028e-10 -1.630968068548306e-09 ] [ 1.429806781266437e-09 -3.41113018438404e-10 5.842985977417769e-10 ] [ 1.277729777343791e-09 -3.87836494527429e-09 -2.045250250814203e-09 ] [ -1.195238348771369e-09 1.539914608043789e-09 3.299830017755664e-09 ] [ -3.195152608461591e-09 -9.766759812852886e-10 3.256784658565313e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.218853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.802899998688081e-18 } }