{ "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" [ [ 1.30949 2.712734 2.978333 ] [ 0.0672006 1.690783 1.932827 ] [ 2.539316 0.8650755 1.245634 ] [ 2.964133 0.3086468 2.850804 ] [ 2.353048 2.858216 0.4219119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.30949e-10 2.712734e-10 2.978333e-10 ] [ 6.72006e-12 1.690783e-10 1.932827e-10 ] [ 2.539316e-10 8.650755e-11 1.245634e-10 ] [ 2.964133e-10 3.086468e-11 2.850804e-10 ] [ 2.353048e-10 2.858216e-10 4.219119e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.367311 -3.5208419 -3.1442893 ] [ 6.5275493 1.8690371 4.5115651 ] [ -6.3010446 0.2383071 -20.9156171 ] [ 3.2779601 -3.6490641 20.2865384 ] [ 0.8628463 5.0625619 -0.7381971 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.997203637611173e-09 -5.641010624188165e-09 -5.037706846996216e-09 ] [ 1.045828696574306e-08 2.994527569699121e-09 7.228324185989873e-09 ] [ -1.009538642791188e-08 3.818100673363013e-10 -3.351051300331084e-08 ] [ 5.251871079404303e-09 -5.846445236988239e-09 3.250261780922374e-08 ] [ 1.382432180593354e-09 8.111118384358644e-09 -1.182722144906561e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1618138 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.872314093418748e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3607362 2.5705096 2.8336774 ] [ 0.0063182 1.4605538 1.9700752 ] [ 2.0288313 0.6187579 0.8072906 ] [ 3.1303517 0.6455996 3.1803051 ] [ 2.7069502 3.1400344 0.6381615 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3607362e-10 2.5705096e-10 2.8336774e-10 ] [ 6.3182e-13 1.4605538e-10 1.9700752e-10 ] [ 2.0288313e-10 6.187579e-11 8.072906e-11 ] [ 3.1303517e-10 6.455996000000001e-11 3.1803051e-10 ] [ 2.7069502e-10 3.1400344e-10 6.381615e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001307 9.19e-05 6.65e-05 ] [ -0.0001116 -0.0001183 -9.5e-06 ] [ 3.75e-05 6e-06 -3.9e-05 ] [ -6.09e-05 -5.04e-05 6.39e-05 ] [ 4.3e-06 7.08e-05 -8.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.094044860638e-13 1.472400326646e-13 1.06544746161e-13 ] [ -1.788029123544e-13 -1.895374958022e-13 -1.5220678023e-14 ] [ 6.008162377499999e-14 9.613059803999999e-15 -6.248488872599999e-14 ] [ -9.757255701059999e-14 -8.074970235359998e-14 1.023790869126e-13 ] [ 6.8893595262e-15 1.134341056872e-13 -1.312182663246e-13 ] ] } "relaxed-potential-energy" { "source-value" -11.64318 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.865443094145612e-18 } }