{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39006e-10 0.0 0.0 ] "source-value" [ 5.39006 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] "source-value" [ 0.23331 5.36322 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] "source-value" [ -0.160148 -0.0213292 5.4933 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.202449767937803e-08 2.998212551255672e-09 1.197161223239035e-08 ] [ 1.874184554419699e-10 -1.392624736212326e-10 -1.365370910804208e-09 ] [ 1.282849522208607e-09 -6.290803907851949e-10 5.547651906236698e-10 ] [ 1.027715280171486e-08 -9.06255808638194e-09 -8.980424424528573e-09 ] [ -8.508239742817814e-09 6.023875835426158e-09 9.442221073683054e-09 ] [ -6.271629058054216e-10 1.565617353578275e-09 1.162269549509537e-09 ] [ -1.235676475744731e-09 1.028266701299067e-09 -1.763620108212574e-09 ] [ 1.064815586416289e-08 -1.785071490770803e-09 -1.102145276287892e-08 ] ] "source-value" [ [ -7.5051012 1.8713371 7.4720927 ] [ 0.1169774 -0.0869208 -0.8521975 ] [ 0.8006917 -0.3926411 0.3462572 ] [ 6.4144943 -5.6564039 -5.6051401 ] [ -5.3104256 3.7598076 5.8933709 ] [ -0.3914443 0.9771815 0.7254316 ] [ -0.7712486 0.6417936 -1.1007651 ] [ 6.6460562 -1.114154 -6.8790498 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.50168738159789e-18 "source-value" -34.338832 } }