{ "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" [ [ -4.4129255 -6.0062053 -7.4482173 ] [ 0.7144266 -2.3758187 11.2950241 ] [ -7.4885503 4.5591419 -2.4116315 ] [ -1.2704395 -0.4670364 -1.5437209 ] [ 3.3312185 -0.3032 1.71081 ] [ 2.385989 -0.8135249 -3.2676529 ] [ 6.7402812 5.4066435 1.6653883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.070286065432151e-09 -9.623001711385051e-09 -1.19333596246981e-08 ] [ 1.144637595797633e-09 -3.806481176399449e-09 1.809662354439256e-08 ] [ -1.199798021434483e-08 7.304550563089692e-09 -3.863859607284835e-09 ] [ -2.035468465040842e-09 -7.482748011425971e-10 -2.473313535020335e-09 ] [ 5.337200399476445e-09 -4.857799514265601e-10 2.741019784630848e-09 ] [ 3.822775793285971e-09 -1.303410575218658e-09 -5.23535708126932e-09 ] [ 1.079912095625777e-08 8.662397812700286e-09 2.668246198813857e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.778627 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.848450052932364e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5400378 1.9024611 2.4809303 ] [ 2.4963101 2.7809364 4.4683957 ] [ 1.9880967 4.3266785 2.604918 ] [ 3.6816954 1.4434539 1.6950878 ] [ 4.7105116 2.5846267 3.5825525 ] [ 4.0823721 3.7719613 1.3099499 ] [ 4.2185653 4.9475942 3.4213408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5400378e-10 1.9024611e-10 2.4809303e-10 ] [ 2.4963101e-10 2.7809364e-10 4.4683957e-10 ] [ 1.9880967e-10 4.3266785e-10 2.604918e-10 ] [ 3.681695400000001e-10 1.4434539e-10 1.6950878e-10 ] [ 4.7105116e-10 2.5846267e-10 3.5825525e-10 ] [ 4.0823721e-10 3.7719613e-10 1.3099499e-10 ] [ 4.2185653e-10 4.947594200000001e-10 3.4213408e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 -3.2e-06 2.1e-05 ] [ -6.31e-05 -0.0001463 3.35e-05 ] [ 8.7e-06 1.21e-05 -2.05e-05 ] [ -3.2e-06 -5e-07 -6.3e-06 ] [ -2.77e-05 -2.2e-06 5.9e-05 ] [ -1.45e-05 6.25e-05 4.29e-05 ] [ 9.94e-05 7.75e-05 -0.0001296 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 -5.126965186560001e-15 3.36457090368e-14 ] [ -1.0109734477248e-13 -2.3439843962304e-13 5.36729167968e-14 ] [ 1.393893660096e-14 1.938633711168e-14 -3.28446207264e-14 ] [ -5.126965186560001e-15 -8.010883104e-16 -1.009371271104e-14 ] [ -4.438029239616e-14 -3.52478856576e-15 9.45284206272e-14 ] [ -2.32315610016e-14 1.001360388e-13 6.873337703232e-14 ] [ 1.5925635610752e-13 1.24168688112e-13 -2.0764209005568e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.786315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490552454638435e-18 } }