{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0544929 1.2314012 -1.1698482 ] [ 0.0710641 1.2422429 0.2070236 ] [ -0.2766911 -1.53337 -0.2957222 ] [ 1.328384 0.8341755 0.4534711 ] [ 0.5765943 -1.296001 1.1210137 ] [ 0.8854085 -1.1039145 -1.1432836 ] [ -1.1716746 0.1513518 -0.2384362 ] [ -1.3585922 0.4741142 1.0657818 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.730725109889858e-11 1.972922229719561e-09 -1.874303451366958e-09 ] [ 1.138572405362394e-10 1.990292548132398e-09 3.316883746065624e-10 ] [ -4.433080152557574e-10 -2.45672958527658e-09 -4.737991989950747e-10 ] [ 2.128305805779456e-09 1.336496494755267e-09 7.265408006142774e-10 ] [ 9.238059147575862e-10 -2.076422519840634e-09 1.796061956533886e-09 ] [ 1.418580810244989e-09 -1.768666017833793e-09 -1.831742269955402e-09 ] [ -1.877229666771296e-09 2.424923174738412e-10 -3.820169083397507e-10 ] [ -2.176704677974654e-09 7.596146930876027e-10 1.707570696902461e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.409767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.872181813278427e-18 } }