{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7683107 -0.2707435 -0.0198718 ] [ 0.8004798 0.0073433 -0.1170464 ] [ 0.8993963 0.7941438 0.9743107 ] [ -0.3058312 -0.3339404 -0.3308735 ] [ 0.2244806 -0.377306 -0.2311063 ] [ -0.1641799 1.3272912 -0.1038043 ] [ -0.6860348 -1.1467884 -0.1716083 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.230969441050483e-09 -4.337789059335649e-10 -3.183813337321344e-11 ] [ 1.28251002098266e-09 1.176526357952064e-11 -1.875290056288051e-10 ] [ 1.440991724694023e-09 1.272358629913271e-09 1.561017824935283e-09 ] [ -4.899955985512091e-10 -5.350315016206004e-10 -5.301177861422688e-10 ] [ 3.596575691431565e-10 -6.045108520875648e-10 -3.70273110779591e-10 ] [ -2.630451973852819e-10 2.126554929633577e-09 -1.663128225985095e-10 ] [ -1.099148917615204e-09 -1.837357563484639e-09 -2.749468061952327e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.485764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.481092903602629e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1970542 1.9707441 1.1420164 ] [ 2.3956345 3.9114535 2.1056607 ] [ 5.3110258 2.6939844 1.6221631 ] [ 3.36484 0.5264569 2.9373243 ] [ 5.409735 1.4283159 3.5223822 ] [ 4.825231 3.3158537 4.7193797 ] [ 4.5270634 4.5110955 2.7649663 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1970542e-10 1.9707441e-10 1.1420164e-10 ] [ 2.3956345e-10 3.9114535e-10 2.1056607e-10 ] [ 5.311025800000001e-10 2.693984400000001e-10 1.6221631e-10 ] [ 3.36484e-10 5.264569e-11 2.9373243e-10 ] [ 5.409735e-10 1.4283159e-10 3.5223822e-10 ] [ 4.825231e-10 3.3158537e-10 4.719379700000001e-10 ] [ 4.527063400000001e-10 4.5110955e-10 2.7649663e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 -2.14e-05 -5.2e-06 ] [ 3.7e-06 7.5e-06 4.2e-06 ] [ 1.3e-06 1.2e-06 -9.1e-06 ] [ -1.3e-05 -5e-06 -6.5e-06 ] [ 4.2e-06 7.5e-06 5e-06 ] [ 5.4e-06 -3.8e-06 9.8e-06 ] [ -2.8e-06 1.4e-05 1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92261194496e-15 -3.428657968511999e-14 -8.33131842816e-15 ] [ 5.928053496960001e-15 1.2016324656e-14 6.72914180736e-15 ] [ 2.08282960704e-15 1.92261194496e-15 -1.457980724928e-14 ] [ -2.08282960704e-14 -8.010883104e-15 -1.04141480352e-14 ] [ 6.72914180736e-15 1.2016324656e-14 8.010883104e-15 ] [ 8.65175375232e-15 -6.08827115904e-15 1.570133088384e-14 ] [ -4.48609453824e-15 2.24304726912e-14 2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }