{ "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" [ [ -3.629719919186055e-09 -4.367281926571335e-10 2.87210955530938e-09 ] [ 4.784506663005807e-09 -5.790338405519136e-10 -1.647426895101254e-10 ] [ 5.511627285353333e-09 4.495489701944371e-09 5.870126801234976e-10 ] [ -3.238420162870409e-09 -3.929379979321803e-09 -3.382832032150892e-09 ] [ 1.047333243957235e-09 -2.243307783038542e-09 4.833830952018432e-10 ] [ 6.571091890247942e-10 4.566081283421495e-09 1.26110478111111e-09 ] [ -5.132436299284707e-09 -1.873121029578812e-09 -1.656035390084813e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.720616 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.198285017817441e-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" [ [ -1.169588933184e-14 8.33131842816e-15 3.2043532416e-16 ] [ -1.2016324656e-14 -6.889359469440001e-15 -4.005441552e-15 ] [ 4.48609453824e-15 1.137545400768e-14 -1.009371271104e-14 ] [ 5.28718284864e-15 2.24304726912e-15 -4.8065298624e-15 ] [ 9.45284206272e-15 3.236396774016e-14 -8.491536090240001e-15 ] [ -2.4032649312e-15 -3.540810331968e-14 3.476723267136e-14 ] [ 7.04957713152e-15 -1.2016324656e-14 -7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.404065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.628220942908355e-18 } }