{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.127389 1.171603 0.6946463 ] [ 1.009133 1.283908 2.574652 ] [ 0.7652821 2.93985 0.2651139 ] [ 0.0212665 2.421916 2.924129 ] [ 2.909562 0.955426 0.4927479 ] [ 2.967895 0.4293313 2.317144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.127389e-10 1.171603e-10 6.946463000000001e-11 ] [ 1.009133e-10 1.283908e-10 2.574652e-10 ] [ 7.652821e-11 2.93985e-10 2.651139e-11 ] [ 2.12665e-12 2.421916e-10 2.924129e-10 ] [ 2.909562e-10 9.55426e-11 4.927479e-11 ] [ 2.967895e-10 4.293313e-11 2.317144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.5971829 -4.060303 -12.3475941 ] [ 0.4393183 -5.5739441 6.4355889 ] [ 2.087148 2.0028301 0.3895097 ] [ -6.5935136 8.9553381 3.1579773 ] [ 3.8638124 3.5210436 -6.7482839 ] [ 9.8004178 -4.8449648 9.112802 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.537638219460435e-08 -6.505322593560102e-09 -1.978302675313626e-08 ] [ 7.038655151486021e-10 -8.93044299624216e-09 1.031095016160976e-08 ] [ 3.343979757299832e-09 3.208887588091884e-09 6.240633400563497e-10 ] [ -1.056397342588122e-08 1.434803345338996e-08 5.059637440762407e-09 ] [ 6.19050994543946e-09 5.641333783215242e-09 -1.081194278417839e-08 ] [ 1.570200040259768e-08 -7.762489395112482e-09 1.460031843466847e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3390572 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.015628932742946e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0051003 1.062713 0.2486751 ] [ 0.9385021 0.8016307 2.6848134 ] [ 0.1693285 3.2442281 0.5160871 ] [ 0.1055819 2.9950209 2.8406583 ] [ 3.3227625 0.6736772 0.326795 ] [ 3.2592524 0.4247644 2.6514041 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0051003e-10 1.062713e-10 2.486751e-11 ] [ 9.385021000000001e-11 8.016307000000001e-11 2.6848134e-10 ] [ 1.693285e-11 3.2442281e-10 5.160871e-11 ] [ 1.055819e-11 2.9950209e-10 2.8406583e-10 ] [ 3.3227625e-10 6.736772e-11 3.26795e-11 ] [ 3.2592524e-10 4.247644e-11 2.6514041e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 3.22e-05 -1.26e-05 ] [ 2.93e-05 -3.9e-06 1.23e-05 ] [ 6.9e-06 -3.99e-05 -3.9e-06 ] [ 6.4e-06 6.6e-06 -4.4e-06 ] [ -8.7e-06 1.42e-05 6.7e-06 ] [ -2.62e-05 -9.2e-06 1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.23367600818e-14 5.159008761479998e-14 -2.01874255884e-14 ] [ 4.69437753762e-14 -6.248488872599999e-15 1.97067725982e-14 ] [ 1.10550187746e-14 -6.392684769659999e-14 -6.248488872599999e-15 ] [ 1.02539304576e-14 1.05743657844e-14 -7.0495771896e-15 ] [ -1.39389367158e-14 2.27509082028e-14 1.07345834478e-14 ] [ -4.197702781079999e-14 -1.47400250328e-14 3.0441356046e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.678892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.992688431140953e-18 } }