{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.265493 -0.2725843 1.7926298 ] [ 2.9862542 -0.3614045 -0.1028243 ] [ 3.4400872 2.805864 0.3663845 ] [ -2.0212629 -2.4525261 -2.1113977 ] [ 0.653694 -1.4001626 0.301704 ] [ 0.4101353 2.8499238 0.7871197 ] [ -3.2034148 -1.1691102 -1.033616 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.629719949090562e-09 -4.367281962552461e-10 2.872109578972093e-09 ] [ 4.784506702424362e-09 -5.79033845322453e-10 -1.647426908674062e-10 ] [ 5.511627330762484e-09 4.495489738981775e-09 5.87012684959773e-10 ] [ -3.238420189551078e-09 -3.929380011695147e-09 -3.382832060021341e-09 ] [ 1.047333252585996e-09 -2.243307801520688e-09 4.83383099184336e-10 ] [ 6.571091944385801e-10 4.566081321040488e-09 1.26110479150109e-09 ] [ -5.132436341569782e-09 -1.873121045011067e-09 -1.656035403728544e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.720616 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.198285035928654e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5370067 1.7245559 1.27289 ] [ 2.3305436 4.1815397 1.7496488 ] [ 4.725383 3.1731263 1.3556727 ] [ 4.555095 0.8039451 2.4586577 ] [ 5.0439272 0.7314543 4.8979324 ] [ 5.6467102 2.8765742 3.7891453 ] [ 4.1919183 4.8667084 3.2899458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5370067e-10 1.7245559e-10 1.27289e-10 ] [ 2.3305436e-10 4.1815397e-10 1.7496488e-10 ] [ 4.725383e-10 3.1731263e-10 1.3556727e-10 ] [ 4.555095e-10 8.039451e-11 2.4586577e-10 ] [ 5.0439272e-10 7.314543e-11 4.897932400000001e-10 ] [ 5.646710200000001e-10 2.8765742e-10 3.7891453e-10 ] [ 4.1919183e-10 4.866708400000001e-10 3.2899458e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.3e-06 5.2e-06 2e-07 ] [ -7.5e-06 -4.3e-06 -2.5e-06 ] [ 2.8e-06 7.1e-06 -6.3e-06 ] [ 3.3e-06 1.4e-06 -3e-06 ] [ 5.9e-06 2.02e-05 -5.3e-06 ] [ -1.5e-06 -2.21e-05 2.17e-05 ] [ 4.4e-06 -7.5e-06 -4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.16958894282e-14 8.331318496799998e-15 3.204353268e-16 ] [ -1.2016324755e-14 -6.8893595262e-15 -4.005441585e-15 ] [ 4.486094575199999e-15 1.13754541014e-14 -1.00937127942e-14 ] [ 5.2871828922e-15 2.2430472876e-15 -4.806529901999999e-15 ] [ 9.452842140600001e-15 3.236396800679999e-14 -8.4915361602e-15 ] [ -2.403264951e-15 -3.54081036114e-14 3.476723295779999e-14 ] [ 7.0495771896e-15 -1.2016324755e-14 -7.690447843199998e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.404065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.628220964561721e-18 } }