{ "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" [ [ -3.8874954 2.6389992 3.9428947 ] [ 0.081854 -0.1574829 -0.7467949 ] [ 0.8381895 -0.3175206 0.2247317 ] [ 4.200298 -4.5866748 -3.3550908 ] [ -3.4282566 3.1880185 3.9814574 ] [ -0.4966625 0.9067119 0.7915708 ] [ -0.6203588 0.5981348 -1.0954514 ] [ 3.3124317 -2.2701861 -3.7433175 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.228454243347545e-09 4.228142820549904e-09 6.31721370661623e-09 ] [ 1.311445651189632e-10 -2.523154205557843e-10 -1.196497329312674e-09 ] [ 1.342927620700042e-09 -5.087240819423885e-10 3.600598756926394e-10 ] [ 6.729619255992998e-09 -7.348663131772516e-09 -5.375448040421169e-09 ] [ -5.492672574623298e-09 5.107768707377885e-09 6.378997962991154e-09 ] [ -7.957410459280801e-10 1.452712607981148e-09 1.268236229467953e-09 ] [ -9.93924365867543e-10 9.583175926468837e-10 -1.755106622302629e-09 ] [ 5.307100627736799e-09 -3.637239094285131e-09 -5.997455782731504e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.305203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.336081759759802e-18 } }