{ "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" [ [ -5.6890398 -2.7976147 1.8053544 ] [ 2.7038593 -13.5357619 -5.0284547 ] [ 0.9992886 -1.4773331 3.5966672 ] [ 0.1010226 0.5997737 -0.6264174 ] [ 9.8516657 4.3851268 0.9301155 ] [ -3.6167953 3.1990033 -10.5015444 ] [ -4.350001 9.6268059 9.8242795 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.114846562360708e-09 -4.482272866346406e-09 2.892496611938411e-09 ] [ 4.332060156392653e-09 -2.168668126089539e-08 -8.056472559091878e-09 ] [ 1.601036832351963e-09 -2.366948553953989e-09 5.762496100638198e-09 ] [ 1.618560478924301e-10 9.60943399910713e-10 -1.003631313142322e-09 ] [ 1.578410846047727e-08 7.025747638203518e-09 1.490209308743702e-09 ] [ -5.794744871879322e-09 5.125368297122049e-09 -1.682532891997316e-08 ] [ -6.969469902656621e-09 1.54238433459595e-08 1.574023093110471e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2703604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.444048216070137e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2938886 2.8851995 2.7206026 ] [ 4.291144 0.7603635 1.2923882 ] [ 5.4728426 2.1721833 4.0023271 ] [ 3.5648658 1.063829 3.4545528 ] [ 5.2989009 3.9718209 2.6239424 ] [ 3.9711764 3.0133299 0.9536432 ] [ 3.3791177 4.6715763 3.6819117 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2938886e-10 2.8851995e-10 2.7206026e-10 ] [ 4.291144e-10 7.603635e-11 1.2923882e-10 ] [ 5.4728426e-10 2.1721833e-10 4.0023271e-10 ] [ 3.5648658e-10 1.063829e-10 3.4545528e-10 ] [ 5.2989009e-10 3.9718209e-10 2.6239424e-10 ] [ 3.9711764e-10 3.0133299e-10 9.536432000000001e-11 ] [ 3.3791177e-10 4.671576300000001e-10 3.6819117e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.4e-06 3.8e-06 -5.2e-06 ] [ 7.9e-06 -9.5e-06 -4e-07 ] [ 1.34e-05 1.2e-05 -1.7e-06 ] [ -8.6e-06 -4e-07 -1.54e-05 ] [ -2.1e-06 -9.5e-06 6.9e-06 ] [ -7.5e-06 -9.5e-06 4e-06 ] [ 1.3e-06 1.32e-05 1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.04957713152e-15 6.08827115904e-15 -8.33131842816e-15 ] [ 1.265719530432e-14 -1.52206778976e-14 -6.408706483200001e-16 ] [ 2.146916671872e-14 1.92261194496e-14 -2.72370025536e-15 ] [ -1.377871893888e-14 -6.408706483200001e-16 -2.467351996032e-14 ] [ -3.36457090368e-15 -1.52206778976e-14 1.105501868352e-14 ] [ -1.2016324656e-14 -1.52206778976e-14 6.4087064832e-15 ] [ 2.08282960704e-15 2.114873139456e-14 1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }