{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5935001 -0.4160917 0.5749328 ] [ -1.8996792 -3.4659351 2.9997334 ] [ 1.0308205 3.7688684 -2.2099236 ] [ 0.5764395 -1.2172306 0.6764074 ] [ 0.2276233 0.4051315 -0.5710438 ] [ -2.051394 -0.1248269 1.8717389 ] [ 1.5226898 1.0500845 -3.3418451 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.50891984662462e-10 -6.666523938489274e-10 9.211438906910824e-10 ] [ -3.043621601260048e-09 -5.55304018643011e-09 4.806102722112895e-09 ] [ 1.651556505341366e-09 6.038392837351903e-09 -3.540687925674171e-09 ] [ 9.235578902056416e-10 -1.950218409442357e-09 1.083724122416114e-09 ] [ 3.646927296093446e-10 6.490922176496352e-10 -9.14913025812791e-10 ] [ -3.286695506849395e-09 -1.999947408269395e-10 2.998856305821909e-09 ] [ 2.439617998290628e-09 1.682420835764458e-09 -5.354226089555038e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.310687085572457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.171301193048868e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0168982 1.1067524 2.0644039 ] [ 1.8464402 2.1894998 3.8922047 ] [ 2.9297614 3.5119225 2.365623 ] [ 4.9597993 2.5505291 1.9100947 ] [ 4.2127252 2.6119232 4.2168841 ] [ 3.2069491 0.4108047 4.3801555 ] [ 5.1311106 0.6339328 3.155144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0168982e-10 1.1067524e-10 2.0644039e-10 ] [ 1.8464402e-10 2.1894998e-10 3.892204700000001e-10 ] [ 2.9297614e-10 3.5119225e-10 2.365623e-10 ] [ 4.959799300000001e-10 2.5505291e-10 1.9100947e-10 ] [ 4.2127252e-10 2.6119232e-10 4.2168841e-10 ] [ 3.2069491e-10 4.108047e-11 4.3801555e-10 ] [ 5.131110600000001e-10 6.339328e-11 3.155144e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-07 6e-06 6.5e-06 ] [ -4.8e-06 -2e-07 -4.3e-06 ] [ -4.4e-06 -3e-07 -4e-06 ] [ 1.4e-06 1.5e-06 -3.3e-06 ] [ 7.7e-06 -2.7e-06 3e-06 ] [ -1.6e-06 -3.7e-06 1e-06 ] [ 2.2e-06 -6e-07 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-16 9.6130597248e-15 1.04141480352e-14 ] [ -7.69044777984e-15 -3.2043532416e-16 -6.889359469440001e-15 ] [ -7.04957713152e-15 -4.8065298624e-16 -6.4087064832e-15 ] [ 2.24304726912e-15 2.4032649312e-15 -5.28718284864e-15 ] [ 1.233675998016e-14 -4.32587687616e-15 4.8065298624e-15 ] [ -2.56348259328e-15 -5.928053496960001e-15 1.6021766208e-15 ] [ 3.52478856576e-15 -9.6130597248e-16 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }