{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3531575 -2.6105907 -0.9547215 ] [ 0.8280947 -8.4199768 0.1490897 ] [ 0.5329655 -0.1728772 0.6164325 ] [ 0.0 0.0 0.0 ] [ 6.1786662 3.1170908 2.1791596 ] [ -4.4706493 3.269123 -10.0474058 ] [ 1.2840803 4.8172309 8.0574455 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.974527230621854e-09 -4.182627420477704e-09 -1.529632479277431e-09 ] [ 1.32675397907924e-09 -1.349029008778209e-08 2.388680337100697e-10 ] [ 8.539048708281269e-10 -2.769798103913448e-10 9.87633747938205e-10 ] [ 0.0 0.0 0.0 ] [ 9.89931461492557e-09 4.994130045816367e-09 3.491398592876786e-09 ] [ -7.162769847268456e-09 5.237712484271982e-09 -1.609771880507608e-08 ] [ 2.05732345283971e-09 7.71805478856279e-09 1.290945090982845e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3994362 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.185520378441375e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3120611 3.432937 3.7722479 ] [ 5.6449793 2.373722 0.6458183 ] [ 6.0870222 1.8568994 4.7697445 ] [ 3.250182 0.9950144 3.979579 ] [ 5.3833618 3.0212164 2.9212126 ] [ 3.4279796 3.1055217 0.1826808 ] [ 3.16635 3.7529915 2.4580849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3120611e-10 3.432937e-10 3.7722479e-10 ] [ 5.6449793e-10 2.373722e-10 6.458183e-11 ] [ 6.0870222e-10 1.8568994e-10 4.7697445e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.383361800000001e-10 3.0212164e-10 2.9212126e-10 ] [ 3.4279796e-10 3.1055217e-10 1.826808e-11 ] [ 3.16635e-10 3.7529915e-10 2.4580849e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.9e-06 8.1e-06 -7e-06 ] [ 7.2e-06 5.9e-06 -1.62e-05 ] [ 1.46e-05 -5.2e-06 3.5e-06 ] [ 0.0 0.0 0.0 ] [ -1.08e-05 -2.4e-06 1.88e-05 ] [ -9e-06 -4.1e-06 1.25e-05 ] [ 4e-06 -2.4e-06 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.452842140600001e-15 1.29776307354e-14 -1.1215236438e-14 ] [ 1.15356717648e-14 9.452842140600001e-15 -2.59552614708e-14 ] [ 2.33917788564e-14 -8.331318496799998e-15 5.607618218999999e-15 ] [ 0.0 0.0 0.0 ] [ -1.73035076472e-14 -3.845223921599999e-15 3.012092071919999e-14 ] [ -1.4419589706e-14 -6.568924199399999e-15 2.0027207925e-14 ] [ 6.408706535999999e-15 -3.845223921599999e-15 -1.8425031291e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.969384 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.238142063617345e-18 } }