{ "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" [ [ -2.1833467 3.4930039 2.5168995 ] [ -0.5188544 -0.259034 -0.1511138 ] [ 1.3069057 -0.1141107 -0.1567982 ] [ 2.6774258 -5.0130265 -2.0058234 ] [ -1.7573019 3.6112665 2.3247744 ] [ -1.1147284 0.6043758 1.0852552 ] [ 0.0080174 0.6813862 -1.428999 ] [ 1.5818825 -3.0038611 -2.1841948 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.498107066661007e-09 5.596409231050872e-09 4.032517569026283e-09 ] [ -8.312963961280896e-10 -4.150182222115559e-10 -2.421109994349492e-10 ] [ 2.093893775381413e-09 -1.828254972293838e-10 -2.512184122932588e-10 ] [ 4.289709056028757e-09 -8.0317539239228e-09 -3.213683383410435e-09 ] [ -2.815508043063804e-09 5.785886805446961e-09 3.724699223001369e-09 ] [ -1.785991795736205e-09 9.68316784915057e-10 1.738770523366997e-09 ] [ 1.28452909454316e-11 1.091701048370051e-09 -2.289508807809365e-09 ] [ 2.534455179233505e-09 -4.812716066201537e-09 -3.499465872664303e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.673361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.074631891444687e-18 } }