{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.711766 1.445938 2.481154 ] [ 1.786648 3.09956 4.150451 ] [ 2.046679 3.825969 2.202277 ] [ 4.127996 2.712807 1.52252 ] [ 4.061478 2.056421 3.562426 ] [ 4.12269 4.38488 2.772359 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.711766e-10 1.445938e-10 2.481154e-10 ] [ 1.786648e-10 3.09956e-10 4.150451000000001e-10 ] [ 2.046679e-10 3.825969e-10 2.202277e-10 ] [ 4.127996e-10 2.712807e-10 1.52252e-10 ] [ 4.061478e-10 2.056421e-10 3.562426e-10 ] [ 4.122690000000001e-10 4.38488e-10 2.772359e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6997892 -1.1504373 -0.4953817 ] [ -0.3402242 -1.4306928 4.855443 ] [ -3.0400723 3.4661976 -5.0498045 ] [ 0.751599 -3.9993981 -6.6557191 ] [ -0.1071492 -2.84031 4.3051653 ] [ 2.0360576 5.9546405 3.0402969 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.121185895728335e-09 -1.843203745756276e-09 -7.936889781121593e-10 ] [ -5.450992590703833e-10 -2.29222255570689e-09 7.779277258227016e-09 ] [ -4.870732764601684e-09 5.553460757793071e-09 -8.090678709510633e-09 ] [ 1.204194346016659e-09 -6.407742133091941e-09 -1.066363753663202e-08 ] [ -1.716719431774234e-10 -4.550678277824449e-09 6.897635192339418e-09 ] [ 3.262123885322158e-09 9.540385794368823e-09 4.871092613470716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.241241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281698338137842e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8041497 1.9124463 1.8165495 ] [ 1.9008648 2.5049839 4.1936844 ] [ 1.7829046 4.2685364 2.494499 ] [ 4.0979562 1.9636589 1.7104539 ] [ 4.1946709 2.5561988 4.0875905 ] [ 4.0767108 4.3197507 2.3884098 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8041497e-10 1.9124463e-10 1.8165495e-10 ] [ 1.9008648e-10 2.5049839e-10 4.193684400000001e-10 ] [ 1.7829046e-10 4.268536400000001e-10 2.494499e-10 ] [ 4.0979562e-10 1.9636589e-10 1.7104539e-10 ] [ 4.1946709e-10 2.5561988e-10 4.087590500000001e-10 ] [ 4.0767108e-10 4.319750700000001e-10 2.3884098e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 -1.05e-05 -1.5e-05 ] [ 2e-06 1.19e-05 -4.6e-06 ] [ -6.7e-06 3.2e-06 1.06e-05 ] [ 1e-07 1.8e-06 1.1e-06 ] [ 9e-06 4.4e-06 4.2e-06 ] [ -0.0 -1.08e-05 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.889359469440001e-15 -1.68228545184e-14 -2.4032649312e-14 ] [ 3.2043532416e-15 1.906590178752e-14 -7.370012455680001e-15 ] [ -1.073458335936e-14 5.126965186560001e-15 1.698307218048e-14 ] [ 1.6021766208e-16 2.88391791744e-15 1.76239428288e-15 ] [ 1.44195895872e-14 7.04957713152e-15 6.72914180736e-15 ] [ 0.0 -1.730350750464e-14 6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.293256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.930902708150933e-18 } }