{ "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" [ [ 0.222321 0.8394017 -0.1690604 ] [ -0.1491145 -0.1134118 -0.123989 ] [ 0.0447212 0.072669 -0.1387822 ] [ 0.1573774 0.2085593 -0.2496835 ] [ 0.3381495 -0.0970366 -0.0536509 ] [ 0.2892248 -0.7768857 -0.3766513 ] [ -0.3882599 0.1730223 0.4815321 ] [ -0.5144194 -0.3063181 0.6302852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.561975085128768e-10 1.344869779199775e-09 -2.708646203830963e-10 ] [ -2.389077657222816e-10 -1.817057344828454e-10 -1.986522770363712e-10 ] [ 7.165126109412097e-11 1.164285728569152e-10 -2.223535962231897e-10 ] [ 2.521463909222899e-10 3.341488345104134e-10 -4.000370662995168e-10 ] [ 5.417752232352095e-10 -1.554697718819213e-10 -8.595821766487872e-11 ] [ 4.633892127155559e-10 -1.244708105573843e-09 -6.034619070539271e-10 ] [ -6.220609345741459e-10 2.772122839370439e-10 7.714994727847277e-10 ] [ -8.241907359659635e-10 -4.907756983478765e-10 1.009828211876252e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 146.38858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.345403604281105e-17 } }