{ "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" [ 5.33088 0 0 ] "si-unit" "m" "si-value" [ 5.33088e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0480326 5.46857 0 ] "si-unit" "m" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109209 0.182969 5.33745 ] "si-unit" "m" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.978996 -2.2760216 5.2877827 ] [ -1.0151532 -0.1866533 1.1171474 ] [ 3.3318535 -4.8068071 2.3070907 ] [ 1.1235462 1.3786586 2.0331948 ] [ 0.555664 0.3088052 -1.8161717 ] [ -2.5686947 2.0499419 -7.9360215 ] [ -1.8906856 -1.0729266 1.7754491 ] [ -5.5155263 4.6050027 -2.7684715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.579407607056718e-09 -3.646588595955809e-09 8.4719618178107e-09 ] [ -1.626454723570307e-09 -2.990515534551686e-10 1.789867446267506e-09 ] [ 5.338217781630652e-09 -7.701353956315448e-09 3.696366781605106e-09 ] [ 1.800119454028681e-09 2.208854576984859e-09 3.257537174092132e-09 ] [ 8.902718698202113e-10 4.947604718214682e-10 -2.909827837098591e-09 ] [ -4.11550259431287e-09 3.284368986178331e-09 -1.271490810946615e-08 ] [ -3.02921226560322e-09 -1.719017914354433e-09 2.844583039440401e-09 ] [ -8.836847289267528e-09 7.378027664660876e-09 -4.435580312651107e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.682483 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.396528679309345e-18 } }