{ "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" [ [ 2.316837 2.864638 1.901515 ] [ 3.52699 0.8132212 1.584521 ] [ 4.498469 2.850966 1.401087 ] [ 3.329161 3.035367 4.525662 ] [ 4.789001 1.444676 3.549999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.316837e-10 2.864638e-10 1.901515e-10 ] [ 3.52699e-10 8.132212e-11 1.584521e-10 ] [ 4.498469e-10 2.850966e-10 1.401087e-10 ] [ 3.329161e-10 3.035367e-10 4.525662e-10 ] [ 4.789001e-10 1.444676e-10 3.549999e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.777942 2.9981745 1.7246214 ] [ -1.1749687 -7.499255 -0.6426724 ] [ 6.3929144 5.4040958 -3.3784873 ] [ -1.4333089 0.8454893 0.569301 ] [ 1.9933052 -1.7485045 1.7272374 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.257283588738393e-09 4.803605088978729e-09 2.763148086811365e-09 ] [ -1.882507381311769e-09 -1.20151310344175e-08 -1.029674694113426e-09 ] [ 1.024257799045566e-08 8.658315947323473e-09 -5.412933365729717e-09 ] [ -2.296414009964565e-09 1.354623189596558e-09 9.121207523980608e-10 ] [ 3.193626989559068e-09 -2.801413031263593e-09 2.767339380851378e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7605507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.243377289607307e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.425416 2.867888 1.9265955 ] [ 3.0732764 0.3597745 1.9271176 ] [ 4.9177088 3.3591274 1.4190304 ] [ 3.0852943 2.8864313 4.4315222 ] [ 4.9587625 1.535647 3.2585183 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.425416e-10 2.867888e-10 1.9265955e-10 ] [ 3.0732764e-10 3.597745e-11 1.9271176e-10 ] [ 4.9177088e-10 3.3591274e-10 1.4190304e-10 ] [ 3.0852943e-10 2.8864313e-10 4.4315222e-10 ] [ 4.9587625e-10 1.535647e-10 3.2585183e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.81e-05 -2.2e-06 1.47e-05 ] [ -4.7e-06 -2.58e-05 -6.6e-06 ] [ 5.5e-06 -4.9e-06 1.44e-05 ] [ 3.5e-06 5.4e-06 -8e-07 ] [ -2.23e-05 2.75e-05 -2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.899939683648e-14 -3.52478856576e-15 2.355199632576e-14 ] [ -7.53023011776e-15 -4.133615681664e-14 -1.057436569728e-14 ] [ 8.8119714144e-15 -7.850665441919999e-15 2.307134333952e-14 ] [ 5.6076181728e-15 8.65175375232e-15 -1.28174129664e-15 ] [ -3.572853864384e-14 4.4059857072e-14 -3.476723267136e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658081798169e-18 } }