{ "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" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1278785 6.3079794 -1.4542899 ] [ -2.5246075 2.8688937 -8.4925052 ] [ -2.1715239 1.8228644 4.2565736 ] [ -0.9552432 1.2248917 -5.3775513 ] [ 7.5281543 -8.0856557 6.039233 ] [ 2.5355204 -2.8468118 -3.0303915 ] [ -0.6343512 -2.1901509 4.5594911 ] [ -3.9058276 0.8979892 3.4994403 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.048839430029728e-10 1.010649711916801e-08 -2.33002927764557e-09 ] [ -4.044867113196336e-09 4.596474413700409e-09 -1.360649328346243e-08 ] [ -3.479164824088437e-09 2.92055072456862e-09 6.819782706634492e-09 ] [ -1.530468322218179e-09 1.962492844751967e-09 -8.615786970012647e-09 ] [ 1.206143281723499e-08 -1.295464852637826e-08 9.675917920163848e-09 ] [ 4.062351506441465e-09 -4.561095309777565e-09 -4.855222413171043e-09 ] [ -1.016342662016425e-09 -3.509008568004079e-09 7.305110043165675e-09 ] [ -6.257825665595374e-09 1.438737301970896e-09 5.606721434545338e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.080609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.499009523762607e-18 } }