{ "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" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2331458 -2.179598 -4.4535378 ] [ -0.2704235 -0.445721 -1.2908737 ] [ -0.0783948 0.7580623 1.0316507 ] [ 0.1760329 1.2323051 1.7031813 ] [ 4.4059313 0.6349516 3.0095796 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.782247289075236e-09 -3.492100987113132e-09 -7.135354201795765e-09 ] [ -4.332662129844989e-10 -7.141237714831139e-10 -2.068207679585125e-09 ] [ -1.256023167871032e-10 1.214549704176298e-09 1.652886645989744e-09 ] [ 2.820357991952586e-10 1.974370437179033e-09 2.728797282325744e-09 ] [ 7.059080179869243e-09 1.017304617240914e-09 4.821878113283066e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.552523 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.011135904834758e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9710078 2.5129823 0.2229862 ] [ 1.702913 2.8366841 2.7365387 ] [ 2.7235369 0.7835614 1.8178874 ] [ 2.40891 4.7021705 1.2796807 ] [ 4.0247494 2.8789315 1.6868271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9710078e-10 2.5129823e-10 2.229862e-11 ] [ 1.702913e-10 2.8366841e-10 2.7365387e-10 ] [ 2.7235369e-10 7.835614e-11 1.8178874e-10 ] [ 2.40891e-10 4.7021705e-10 1.2796807e-10 ] [ 4.0247494e-10 2.8789315e-10 1.6868271e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 3e-07 -0.0 ] [ -1e-07 0.0 -0.0 ] [ 3e-07 5e-07 1e-07 ] [ -5e-07 2e-07 -2e-07 ] [ 3e-07 -1e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 4.806529901999999e-16 0.0 ] [ -1.602176634e-16 0.0 0.0 ] [ 4.806529901999999e-16 8.010883169999999e-16 1.602176634e-16 ] [ -8.010883169999999e-16 3.204353268e-16 -3.204353268e-16 ] [ 4.806529901999999e-16 -1.602176634e-15 1.602176634e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.29999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.291110984443366e-18 } }