{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9555672 0.0050154 0.2617056 ] [ 1.4924301 0.024236 2.2596854 ] [ -5.4526109 -0.7832949 0.9948574 ] [ -0.849778 2.203045 -1.0896363 ] [ 1.1913107 -1.6793108 -4.9686873 ] [ 5.2989899 -5.1362771 3.8522566 ] [ -0.7247747 5.3665864 -1.3101815 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.530987440056804e-09 8.035556690163599e-12 4.192985973069504e-10 ] [ 2.391136634098283e-09 3.8830352901624e-11 3.620415148070943e-09 ] [ -8.73604577827371e-09 -1.254976786311367e-09 1.593937280441991e-09 ] [ -1.361494455687252e-09 3.529667222650529e-09 -1.745789819418214e-09 ] [ 1.908690167374184e-09 -2.690552524983847e-09 -7.960714693712548e-09 ] [ 8.489917801581995e-09 -8.22922315536928e-09 6.171995512692284e-09 ] [ -1.16121708925436e-09 8.598219334422177e-09 -2.099142185599071e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.147443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.106452597144686e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0526847 1.5754244 2.3102605 ] [ 1.3625841 1.3657721 4.7389361 ] [ 2.338745 3.7173732 5.0392098 ] [ 0.5020848 3.3202666 3.2950597 ] [ 4.191078 2.5377166 2.3384756 ] [ 4.7522825 2.8911694 4.7836378 ] [ 3.891774 4.8456547 3.3397414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0526847e-10 1.5754244e-10 2.3102605e-10 ] [ 1.3625841e-10 1.3657721e-10 4.738936100000001e-10 ] [ 2.338745e-10 3.7173732e-10 5.0392098e-10 ] [ 5.020848e-11 3.3202666e-10 3.2950597e-10 ] [ 4.191078e-10 2.5377166e-10 2.3384756e-10 ] [ 4.7522825e-10 2.8911694e-10 4.783637800000001e-10 ] [ 3.891774e-10 4.8456547e-10 3.3397414e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.72e-05 9e-07 -1.35e-05 ] [ -1.42e-05 -3.09e-05 4.31e-05 ] [ 2.25e-05 2.5e-05 1.2e-05 ] [ -4.33e-05 2.92e-05 -1.54e-05 ] [ 1.61e-05 5.5e-06 -1.91e-05 ] [ -2.17e-05 1e-06 -2.27e-05 ] [ -6.6e-06 -3.08e-05 1.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.562273712480001e-14 1.4419589706e-15 -2.162938455899999e-14 ] [ -2.27509082028e-14 -4.950725799059999e-14 6.90538129254e-14 ] [ 3.6048974265e-14 4.005441585e-14 1.9226119608e-14 ] [ -6.93742482522e-14 4.67835577128e-14 -2.46735201636e-14 ] [ 2.579504380739999e-14 8.811971486999999e-15 -3.06015737094e-14 ] [ -3.476723295779999e-14 1.602176634e-15 -3.636940959179999e-14 ] [ -1.05743657844e-14 -4.93470403272e-14 2.515417315379999e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.381594 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.62462071344746e-18 } }