{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.264039 2.962814 1.145416 ] [ 2.607686 1.947625 3.138097 ] [ 3.569117 1.227918 0.4731936 ] [ 5.155867 2.512325 3.932817 ] [ 4.543954 3.206398 1.939601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.264039e-10 2.962814e-10 1.145416e-10 ] [ 2.607686e-10 1.947625e-10 3.138097e-10 ] [ 3.569117e-10 1.227918e-10 4.731936e-11 ] [ 5.155867e-10 2.512325e-10 3.932817e-10 ] [ 4.543954e-10 3.206398e-10 1.939601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.790653 4.4356632 -0.9124521 ] [ -3.4937348 -2.5400966 5.1070195 ] [ 2.2791193 -4.9106329 -3.6168912 ] [ 1.7512356 -0.7895293 2.7221549 ] [ 1.2540329 3.8045957 -3.2998312 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.868942396202002e-09 7.106715935333667e-09 -1.461909434264231e-09 ] [ -5.597580261952663e-09 -4.069683420622844e-09 8.182347312282361e-09 ] [ 3.651551688558436e-09 -7.867701290531658e-09 -5.79489856836022e-09 ] [ 2.80578875894897e-09 -1.264965396318376e-09 4.361372974908607e-09 ] [ 2.009182210647258e-09 6.095634332356873e-09 -5.28691244478418e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0443324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.128626477340914e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4217398 2.9123747 1.3827099 ] [ 2.3627536 1.898977 3.6374532 ] [ 3.7153051 1.099563 0.1513926 ] [ 4.8632088 2.4404014 3.8639758 ] [ 4.7776557 3.5057638 1.5935931 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4217398e-10 2.9123747e-10 1.3827099e-10 ] [ 2.3627536e-10 1.898977e-10 3.6374532e-10 ] [ 3.7153051e-10 1.099563e-10 1.513926e-11 ] [ 4.8632088e-10 2.4404014e-10 3.8639758e-10 ] [ 4.7776557e-10 3.5057638e-10 1.5935931e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.16e-05 -1.6e-06 -7e-07 ] [ 6e-06 -0.0 -1.51e-05 ] [ -5.7e-06 -1.6e-06 3.9e-06 ] [ 5.2e-06 1.2e-06 9.3e-06 ] [ 6.1e-06 1.9e-06 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.85852489544e-14 -2.5634826144e-15 -1.1215236438e-15 ] [ 9.613059803999999e-15 0.0 -2.41928671734e-14 ] [ -9.1324068138e-15 -2.5634826144e-15 6.248488872599999e-15 ] [ 8.331318496799998e-15 1.9226119608e-15 1.49002426962e-14 ] [ 9.773277467399999e-15 3.0441356046e-15 4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.382973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.823753336605288e-18 } }