{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0960393 -7.4375464 -4.5235772 ] [ -3.3261514 -3.8620848 14.7318875 ] [ -12.5570447 11.3269023 -4.4532898 ] [ 1.4003377 -6.1464888 -5.2412867 ] [ 12.8837394 -6.2831295 7.194273 ] [ 4.6647195 2.5163183 -11.9615622 ] [ 6.0304387 9.8860289 4.2535554 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.4573461508338e-08 -1.191626295819521e-08 -7.247569632223927e-09 ] [ -5.329082010321189e-09 -6.187741974107043e-09 2.360308573275576e-08 ] [ -2.011860344468055e-08 1.814769805114575e-08 -7.134956803207108e-09 ] [ 2.243588324164844e-09 -9.847760655369046e-09 -8.397467013649983e-09 ] [ 2.064202605515982e-08 -1.006668319035879e-08 1.152649600425268e-08 ] [ 7.473704525489866e-09 4.031586350751201e-09 -1.916453530508502e-08 ] [ 9.661827898307546e-09 1.583916437613314e-08 6.814947017157592e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.61103122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.789799352629014e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.5951849 2.3214288 2.6924329 ] [ 2.5215546 2.0663608 4.8830956 ] [ 2.2619106 4.5842252 2.1067678 ] [ 3.8872905 1.6986993 1.818139 ] [ 4.6629226 2.5779059 3.9472629 ] [ 3.7489295 3.6703954 0.4707297 ] [ 4.0397962 4.8386967 3.6447473 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5951849e-10 2.3214288e-10 2.6924329e-10 ] [ 2.5215546e-10 2.0663608e-10 4.8830956e-10 ] [ 2.2619106e-10 4.5842252e-10 2.1067678e-10 ] [ 3.8872905e-10 1.6986993e-10 1.818139e-10 ] [ 4.6629226e-10 2.5779059e-10 3.9472629e-10 ] [ 3.7489295e-10 3.6703954e-10 4.707297e-11 ] [ 4.0397962e-10 4.8386967e-10 3.6447473e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.59e-05 -2.8e-06 3.13e-05 ] [ 3e-06 -2.2e-06 1.47e-05 ] [ -2.8e-06 1.66e-05 -2.62e-05 ] [ -4.9e-06 -7.8e-06 -1.89e-05 ] [ 2.98e-05 -1.6e-05 -3e-07 ] [ 3.17e-05 1.17e-05 4e-07 ] [ -3.09e-05 5e-07 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.149637447872e-14 -4.48609453824e-15 5.014812823104e-14 ] [ 4.8065298624e-15 -3.52478856576e-15 2.355199632576e-14 ] [ -4.48609453824e-15 2.659613190528e-14 -4.197702746496e-14 ] [ -7.850665441919999e-15 -1.249697764224e-14 -3.028113813312e-14 ] [ 4.774486329984001e-14 -2.56348259328e-14 -4.8065298624e-16 ] [ 5.078899887936e-14 1.874546646336e-14 6.408706483200001e-16 ] [ -4.950725758272e-14 8.010883104e-16 -1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }