{ "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" [ [ 0.0973658 0.3742432 -0.0644691 ] [ -0.0697442 -0.0560762 -0.0382197 ] [ 0.0312749 0.032771 -0.0566141 ] [ 0.0722231 0.1140891 -0.1177875 ] [ 0.1532804 -0.0384599 -0.0372647 ] [ 0.1221168 -0.3485905 -0.1785772 ] [ -0.1777811 0.0686804 0.2111776 ] [ -0.2287357 -0.1466571 0.2817547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.559972084254886e-10 5.996037055333786e-10 -1.032908847840173e-10 ] [ -1.117425266763994e-10 -8.984397662330497e-11 -6.123470979398977e-11 ] [ 5.010791359785792e-11 5.25049300402368e-11 -9.07057874276333e-11 ] [ 1.157141623017005e-10 1.827908887081133e-10 -1.8871637872248e-10 ] [ 2.455822733068724e-10 -6.161955261830592e-11 -5.970463112112575e-11 ] [ 1.956526819669094e-10 -5.585035493329825e-10 -2.861122148479257e-10 ] [ -2.848367220401069e-10 1.100381311871923e-10 3.383438135566541e-10 ] [ -3.664749908823226e-10 -2.349705768943277e-10 4.514207931405178e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 29.426757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.714686209136274e-18 } }