{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0480903 -3.0307384 2.1706371 ] [ -6.8269788 4.660621 -15.3271877 ] [ -6.0251808 0.4426346 17.7726841 ] [ 7.7310439 -5.7069624 -2.5409949 ] [ 7.169206 3.6344452 -2.0751385 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.281402395947259e-09 -4.855778208240799e-09 3.477744013861111e-09 ] [ -1.093802582405724e-08 7.467138004609516e-09 -2.455686179555332e-08 ] [ -9.65340381385304e-09 7.091788076771597e-10 2.847497895388389e-08 ] [ 1.238649779095846e-08 -9.143561733064657e-09 -4.071122622352034e-09 ] [ 1.148633424289909e-08 5.82302312901878e-09 -3.324738389621981e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.8618046007650513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.982939803843643e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5733472 0.0257252 1.6233186 ] [ 0.842452 2.0252906 0.3877923 ] [ 0.8542597 2.0717847 2.7531448 ] [ 2.5688071 0.4082781 0.434375 ] [ 2.8497287 2.4543296 1.5642154 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.733472e-11 2.57252e-12 1.6233186e-10 ] [ 8.42452e-11 2.0252906e-10 3.877923e-11 ] [ 8.542597e-11 2.0717847e-10 2.7531448e-10 ] [ 2.5688071e-10 4.082781e-11 4.343750000000001e-11 ] [ 2.8497287e-10 2.4543296e-10 1.5642154e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.2e-06 -2.7e-05 -1.19e-05 ] [ -3.8e-06 4.8e-06 -1.71e-05 ] [ 1.19e-05 5e-06 1.32e-05 ] [ -1.14e-05 -2.3e-06 1.46e-05 ] [ 1.24e-05 1.96e-05 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.474002491136e-14 -4.32587687616e-14 -1.906590178752e-14 ] [ -6.08827115904e-15 7.69044777984e-15 -2.739722021568e-14 ] [ 1.906590178752e-14 8.010883104e-15 2.114873139456e-14 ] [ -1.826481347712e-14 -3.68500622784e-15 2.339177866368e-14 ] [ 1.986699009792e-14 3.140266176767999e-14 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }