{ "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" [ [ -2.2654933 -0.2725846 1.7926296 ] [ 2.9862542 -0.3614045 -0.1028243 ] [ 3.4400876 2.8058643 0.3663847 ] [ -2.021263 -2.4525262 -2.1113977 ] [ 0.653694 -1.4001627 0.3017041 ] [ 0.4101353 2.8499239 0.7871197 ] [ -3.2034148 -1.1691102 -1.033616 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.629720399839041e-09 -4.367286733101197e-10 2.872109234874056e-09 ] [ 4.784506663005807e-09 -5.790338405519136e-10 -1.647426895101254e-10 ] [ 5.511627926223982e-09 4.495490182597358e-09 5.870130005588219e-10 ] [ -3.23842032308807e-09 -3.929380139539465e-09 -3.382832032150892e-09 ] [ 1.047333243957235e-09 -2.243307943256204e-09 4.833832554195052e-10 ] [ 6.571091890247942e-10 4.566081443639157e-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" [ [ 2.5370062 1.724556 1.2728897 ] [ 2.3305432 4.1815395 1.7496491 ] [ 4.7253829 3.173127 1.3556725 ] [ 4.5550959 0.8039447 2.4586586 ] [ 5.0439275 0.7314546 4.8979312 ] [ 5.6467102 2.8765737 3.7891455 ] [ 4.1919181 4.8667084 3.2899462 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5370062e-10 1.724556e-10 1.2728897e-10 ] [ 2.3305432e-10 4.181539500000001e-10 1.7496491e-10 ] [ 4.725382899999999e-10 3.173127e-10 1.3556725e-10 ] [ 4.5550959e-10 8.039447e-11 2.4586586e-10 ] [ 5.0439275e-10 7.314546e-11 4.897931200000001e-10 ] [ 5.646710200000001e-10 2.8765737e-10 3.7891455e-10 ] [ 4.1919181e-10 4.866708400000001e-10 3.2899462e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.3e-06 2.4e-06 5.8e-06 ] [ -5.9e-06 -3.3e-06 -1.5e-06 ] [ -6e-07 -1e-06 -1.8e-06 ] [ -1.01e-05 9.1e-06 -2.8e-05 ] [ 6.5e-06 1.15e-05 1.38e-05 ] [ 2e-07 -8.5e-06 1.69e-05 ] [ 4.6e-06 -1.02e-05 -5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.491536090240001e-15 3.84522388992e-15 9.292624400640001e-15 ] [ -9.45284206272e-15 -5.28718284864e-15 -2.4032649312e-15 ] [ -9.6130597248e-16 -1.6021766208e-15 -2.88391791744e-15 ] [ -1.618198387008e-14 1.457980724928e-14 -4.48609453824e-14 ] [ 1.04141480352e-14 1.84250311392e-14 2.211003736704e-14 ] [ 3.2043532416e-16 -1.36185012768e-14 2.707678489152e-14 ] [ 7.370012455680001e-15 -1.634220153216e-14 -8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.404065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.628220942908355e-18 } }