{ "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" [ [ -2.0259847 -7.9735801 -0.8167272 ] [ -2.5159435 2.6107225 -9.0682338 ] [ 0.1869164 4.6800272 8.2949729 ] [ -0.4550431 -1.9579701 1.1955189 ] [ 4.810055 2.6408005 0.3944692 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.245985320438502e-09 -1.277508362029613e-08 -1.308541225411446e-09 ] [ -4.030985854953724e-09 4.182838552896528e-09 -1.452891218630834e-08 ] [ 2.994730861241012e-10 7.498230164548085e-09 1.329001165054958e-08 ] [ -7.290594162763565e-10 -3.137013918445438e-09 1.915432431304533e-09 ] [ 7.706557665762145e-09 4.231028821296951e-09 6.320093298656794e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2759796 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.165740440853774e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5714521 -0.0435258 1.7506599 ] [ 1.6168448 1.9747923 0.2907632 ] [ 0.9145518 2.0199002 2.8989367 ] [ 1.9783866 -0.3745214 -0.1413919 ] [ 2.6073593 3.408763 1.9638782 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.714521000000001e-11 -4.35258e-12 1.7506599e-10 ] [ 1.6168448e-10 1.9747923e-10 2.907632e-11 ] [ 9.145518000000001e-11 2.0199002e-10 2.8989367e-10 ] [ 1.9783866e-10 -3.745214e-11 -1.413919e-11 ] [ 2.6073593e-10 3.408763e-10 1.9638782e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.4e-06 1.19e-05 3.1e-05 ] [ 2.23e-05 -3.22e-05 1.22e-05 ] [ 6e-07 -7.3e-06 -3.7e-05 ] [ -1.49e-05 4.03e-05 -8.7e-06 ] [ -1.64e-05 -1.27e-05 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.345828361472e-14 1.906590178752e-14 4.96674752448e-14 ] [ 3.572853864384e-14 -5.159008718975999e-14 1.954655477376e-14 ] [ 9.6130597248e-16 -1.169588933184e-14 -5.92805349696e-14 ] [ -2.387243164992e-14 6.456771781824e-14 -1.393893660096e-14 ] [ -2.627569658112e-14 -2.034764308416e-14 4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.036401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.409097014317374e-18 } }