{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9268867 5.2286164 1.0212081 ] [ 0.4075412 -1.2764445 -0.3514333 ] [ -2.3493627 1.9699874 -2.0995359 ] [ 1.8950241 -4.0495837 -1.3828184 ] [ -0.3550404 1.4560627 -2.5835793 ] [ 2.1481203 -2.4864231 2.8130262 ] [ 0.1772451 1.8590346 1.6159748 ] [ 1.0033591 -2.7012499 0.9671577 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.689389481105367e-09 8.377167024229197e-09 1.636155756271535e-09 ] [ 6.529529880323207e-10 -2.045089552497813e-09 -5.630582216695121e-10 ] [ -3.764094022731152e-09 3.156267781554411e-09 -3.36382736122416e-09 ] [ 3.036163333886879e-09 -6.488148381567265e-09 -2.215519329545265e-09 ] [ -5.688374330060134e-10 2.332869635578951e-09 -4.139350386546075e-09 ] [ 3.44166815168107e-09 -3.983688993057845e-09 4.50696484846981e-09 ] [ 2.839779577109933e-10 2.978501797917536e-09 2.589077065692823e-09 ] [ 1.607558505531269e-09 -4.327879472374836e-09 1.549557468333182e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.752468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.567959220343271e-18 } }