{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2025367 -1.7332188 -4.3342908 ] [ -6.5882062 2.1548131 28.2973355 ] [ -13.3075041 4.7872181 -7.5021915 ] [ -4.3132921 -26.7758798 -10.8798268 ] [ 9.7461751 -2.5964109 -17.0379941 ] [ -7.293643 18.5115043 1.9728344 ] [ 28.9590071 5.6519741 9.4841333 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.153973591119398e-08 -2.776922640091031e-09 -6.944299387508528e-09 ] [ -1.055546994664961e-08 3.452391171013573e-09 4.533732936903388e-08 ] [ -2.132097195022015e-08 7.669968918490595e-09 -1.201983582606448e-08 ] [ -6.910655761301336e-09 -4.289968861691098e-08 -1.743140413731328e-08 ] [ 1.56150938874431e-08 -4.159908841970287e-09 -2.729787581234833e-08 ] [ -1.168570429506157e-08 2.965869940529867e-08 3.160829152389996e-09 ] [ 4.639744413720121e-08 9.05546076438712e-09 1.519525664181075e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0918115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136233458442058e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.759665 2.4294983 1.6612907 ] [ 2.4548941 2.5807169 5.0054458 ] [ 1.1808996 4.0201832 3.4574483 ] [ 3.488732 1.2644555 3.1022709 ] [ 4.1407335 3.2864904 1.5216341 ] [ 3.2967174 5.1914499 2.9646169 ] [ 4.6791904 3.4036118 4.1117103 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.759665e-10 2.4294983e-10 1.6612907e-10 ] [ 2.4548941e-10 2.5807169e-10 5.0054458e-10 ] [ 1.1808996e-10 4.0201832e-10 3.4574483e-10 ] [ 3.488732e-10 1.2644555e-10 3.1022709e-10 ] [ 4.1407335e-10 3.2864904e-10 1.5216341e-10 ] [ 3.2967174e-10 5.1914499e-10 2.9646169e-10 ] [ 4.6791904e-10 3.4036118e-10 4.111710300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-06 1.43e-05 1.4e-05 ] [ 3.5e-06 -1.68e-05 -3.08e-05 ] [ -2.77e-05 2.76e-05 -1.04e-05 ] [ 6.3e-06 1.36e-05 2.03e-05 ] [ -3.2e-06 3.3e-06 1.95e-05 ] [ -1.96e-05 -3.43e-05 -6e-06 ] [ 3.74e-05 -7.7e-06 -6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.28718284864e-15 2.291112567744e-14 2.24304726912e-14 ] [ 5.6076181728e-15 -2.691656722944e-14 -4.934703992064001e-14 ] [ -4.438029239616e-14 4.422007473408001e-14 -1.666263685632e-14 ] [ 1.009371271104e-14 2.178960204288e-14 3.252418540224e-14 ] [ -5.126965186560001e-15 5.28718284864e-15 3.12424441056e-14 ] [ -3.140266176767999e-14 -5.495465809344e-14 -9.6130597248e-15 ] [ 5.992140561792e-14 -1.233675998016e-14 -1.057436569728e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }