{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0647644 0.143829 0.6473224 ] [ 1.313892 1.683397 0.0769283 ] [ 0.1194939 2.399252 1.546304 ] [ 2.728192 0.2406182 0.1106797 ] [ 2.458193 2.956348 2.547264 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.47644e-12 1.43829e-11 6.473223999999999e-11 ] [ 1.313892e-10 1.683397e-10 7.69283e-12 ] [ 1.194939e-11 2.399252e-10 1.546304e-10 ] [ 2.728192e-10 2.406182e-11 1.106797e-11 ] [ 2.458193e-10 2.956348e-10 2.547264000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.8317625 -8.707364 1.2033751 ] [ 4.1750597 7.8856523 -8.4346515 ] [ -3.193354 5.8569862 7.6311191 ] [ 6.9473804 -4.8428085 0.0370213 ] [ -1.0973237 -0.192466 -0.436864 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.094569015635816e-08 -1.395073502959557e-08 1.928019451272862e-09 ] [ 6.689183041784263e-09 1.263420775481775e-08 -1.351380143789565e-08 ] [ -5.116317120738164e-09 9.383926357988232e-09 1.222640061256034e-08 ] [ 1.113093045268415e-08 -7.759034557711517e-09 5.931466133162305e-11 ] [ -1.758106377589753e-09 -3.083645254988928e-10 -6.999332872691711e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5246441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.647102373660657e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1142476 -0.0938749 1.1109461 ] [ 2.9662084 2.2015368 0.0724901 ] [ -0.0766987 1.9033684 2.3380559 ] [ 1.994868 0.0904039 -0.2892497 ] [ 1.68591 3.3220099 1.6962559 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.142476e-11 -9.38749e-12 1.1109461e-10 ] [ 2.9662084e-10 2.2015368e-10 7.24901e-12 ] [ -7.66987e-12 1.9033684e-10 2.3380559e-10 ] [ 1.994868e-10 9.04039e-12 -2.892497e-11 ] [ 1.68591e-10 3.3220099e-10 1.6962559e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 1.4e-06 -8e-07 ] [ -1.2e-06 -1.5e-06 2e-07 ] [ -3e-07 1.7e-06 1.2e-06 ] [ 8e-07 -2e-06 -1.8e-06 ] [ -1.3e-06 4e-07 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-15 2.24304726912e-15 -1.28174129664e-15 ] [ -1.92261194496e-15 -2.4032649312e-15 3.2043532416e-16 ] [ -4.8065298624e-16 2.72370025536e-15 1.92261194496e-15 ] [ 1.28174129664e-15 -3.2043532416e-15 -2.88391791744e-15 ] [ -2.08282960704e-15 6.408706483200001e-16 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }