{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.661132 -1.2974585 1.9771446 ] [ -0.8863808 3.3207197 0.8574708 ] [ -4.9588952 -0.0533111 -4.5873224 ] [ -0.815856 -1.9699501 1.752707 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.067230995846275e-08 -2.078757675158237e-09 3.167734854060968e-09 ] [ -1.420138594886001e-09 5.32037946756999e-09 1.373819668778673e-09 ] [ -7.94502595443734e-09 -8.541379804913088e-11 -7.349700701352145e-09 ] [ -1.307145409139405e-09 -3.156207994362622e-09 2.808146178512506e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1070462 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.182390022985481e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8003158 0.2547697 -0.9708835 ] [ 2.7485743 2.7420788 2.025564 ] [ 1.9203731 1.2227398 0.6579271 ] [ 1.4456561 4.3632031 2.7578424 ] [ 4.8640468 2.6588017 2.6418578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.003158e-11 2.547697e-11 -9.708835e-11 ] [ 2.7485743e-10 2.7420788e-10 2.025564e-10 ] [ 1.9203731e-10 1.2227398e-10 6.579271e-11 ] [ 1.4456561e-10 4.3632031e-10 2.7578424e-10 ] [ 4.8640468e-10 2.658801700000001e-10 2.6418578e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0531039 0.0271626 0.0734198 ] [ 0.0346641 0.0412545 0.0384338 ] [ -0.0773452 -0.0748414 -0.1236186 ] [ -0.0037042 0.0124831 0.012996 ] [ -0.0067187 -0.0060588 -0.0012309 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.508182705330113e-11 4.351928268014208e-11 1.176314870638118e-10 ] [ 5.553801060107329e-11 6.60969954027936e-11 6.157773580850304e-11 ] [ -1.239206711711002e-10 -1.199091413479411e-10 -1.980588308160269e-10 ] [ -5.93478263876736e-12 2.000013097510848e-11 2.08218873639168e-11 ] [ -1.076454406216896e-11 -9.70726771010304e-12 -1.97211920254272e-12 ] ] } "relaxed-potential-energy" { "source-value" -10.272241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.645794437342321e-18 } }