{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0421512 4.3916465 6.141868 ] [ 0.2426739 -0.1518142 -1.1621559 ] [ 0.5228669 -0.2336796 0.137946 ] [ 4.7494697 -5.151876 -6.1401149 ] [ -3.9451676 3.105618 4.1629155 ] [ -0.6284244 1.1915836 -1.3076645 ] [ -0.4936942 0.6160053 0.2300262 ] [ 1.5944269 -3.7674836 -2.0628205 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.271886908778665e-09 7.036193349118147e-09 9.840357317639654e-09 ] [ 3.888064490583572e-10 -2.432331619454553e-10 -1.861979012704783e-09 ] [ 8.377251229701716e-10 -3.743959918778957e-10 2.210138561328768e-10 ] [ 7.60948931453799e-09 -8.25421528046062e-09 -9.83754854180573e-09 ] [ -6.320855293857646e-09 4.975748552735654e-09 6.669725888465943e-09 ] [ -1.006846881620268e-09 1.909127385648699e-09 -2.095109489750122e-09 ] [ -7.909853050645594e-10 9.869492899488903e-10 3.68542599811465e-10 ] [ 2.55455350275462e-09 -6.036174143167419e-09 -3.305002778006966e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.115113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.145408322295016e-18 } }