{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.6696701 -13.4510574 10.2050672 ] [ -10.4654583 -38.1517176 9.8920207 ] [ -29.5961476 23.7131861 -21.2603221 ] [ -2.6222905 8.1991047 -37.6240264 ] [ 23.6316663 -86.6355632 64.4380657 ] [ -25.2788159 85.1297699 -43.859755 ] [ 39.6613759 21.1962775 18.2089499 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.481636322708442e-09 -2.155096986887279e-08 1.63503202162398e-08 ] [ -1.676751275236136e-08 -6.112579048568654e-08 1.584876442858432e-08 ] [ -4.741825614113517e-08 3.799271268711359e-08 -3.406279129993381e-08 ] [ -4.201372566660176e-09 1.313641397005958e-08 -6.028033597507912e-08 ] [ 3.786210356834523e-08 -1.388054750324702e-07 1.032411632046968e-07 ] [ -4.050112817016768e-08 1.363929281915765e-07 -7.027107463396465e-08 ] [ 6.354452973927072e-08 3.396018053827993e-08 2.917395405945663e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 41.609273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.666540495832708e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5741436 0.8815186 1.6905538 ] [ 1.8441342 2.5066259 4.3066034 ] [ 0.9499786 3.1811331 1.5352145 ] [ 4.6777852 2.6989988 1.2531032 ] [ 4.3322264 1.2209379 4.0304341 ] [ 2.981375 4.8597698 2.6626092 ] [ 5.345865 3.8501328 3.9295828 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5741436e-10 8.815186e-11 1.6905538e-10 ] [ 1.8441342e-10 2.5066259e-10 4.306603400000001e-10 ] [ 9.499786e-11 3.1811331e-10 1.5352145e-10 ] [ 4.6777852e-10 2.6989988e-10 1.2531032e-10 ] [ 4.3322264e-10 1.2209379e-10 4.0304341e-10 ] [ 2.981375e-10 4.8597698e-10 2.6626092e-10 ] [ 5.345865e-10 3.8501328e-10 3.9295828e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.59e-05 -1.9e-05 -3.3e-06 ] [ -1.95e-05 1.01e-05 -1.43e-05 ] [ -5.83e-05 3.25e-05 3.77e-05 ] [ 1.75e-05 -3.84e-05 1.52e-05 ] [ 3e-05 8.3e-06 -3.16e-05 ] [ -7.7e-06 2.93e-05 -3.4e-05 ] [ -7.9e-06 -2.29e-05 3.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.353990750059999e-14 -3.0441356046e-14 -5.2871828922e-15 ] [ -3.1242444363e-14 1.61819840034e-14 -2.29111258662e-14 ] [ -9.34068977622e-14 5.207074060499999e-14 6.040205910179999e-14 ] [ 2.8038091095e-14 -6.152358274559999e-14 2.43530848368e-14 ] [ 4.806529901999999e-14 1.32980660622e-14 -5.06287816344e-14 ] [ -1.23367600818e-14 4.69437753762e-14 -5.447400555599999e-14 ] [ -1.26571954086e-14 -3.66898449186e-14 4.838573434679999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.661456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.98989487596191e-18 } }