{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7541489 -8.202361 8.1078055 ] [ -1.8664531 8.3619016 -2.5235919 ] [ -11.1868203 0.1724609 -9.0146568 ] [ 2.120247 8.6399639 4.6463162 ] [ 4.3197722 -8.3818351 -3.2497511 ] [ 7.7942755 0.7091098 -0.654217 ] [ 4.5731276 -1.2992401 2.6880951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.219162840182037e-09 -1.314163102956171e-08 1.299013641809365e-08 ] [ -2.990387520639685e-09 1.339724324895011e-08 -4.043239942620252e-09 ] [ -1.792326194575085e-08 2.763128219821267e-10 -1.444307236949574e-08 ] [ 3.397010173721337e-09 1.384274816513599e-08 7.444219188484297e-09 ] [ 6.921038026021782e-09 -1.342918023662083e-08 -5.206675235839083e-09 ] [ 1.248780598217423e-08 1.136119143140164e-09 -1.048171182329914e-09 ] [ 7.326958124655215e-09 -2.081612113025854e-09 4.306803123707038e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1971584 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.473547216627433e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4672289 3.5868291 3.3992363 ] [ 2.5554666 5.7670831 1.4575835 ] [ 1.4005509 3.6276367 1.048715 ] [ 2.532046 4.9935193 3.7956275 ] [ 3.2408207 2.0127797 1.5194029 ] [ 5.0194138 5.2456166 1.2200417 ] [ 4.4188721 3.5970685 3.0419461 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.672289e-11 3.5868291e-10 3.3992363e-10 ] [ 2.5554666e-10 5.7670831e-10 1.4575835e-10 ] [ 1.4005509e-10 3.6276367e-10 1.048715e-10 ] [ 2.532046e-10 4.993519300000001e-10 3.7956275e-10 ] [ 3.2408207e-10 2.0127797e-10 1.5194029e-10 ] [ 5.0194138e-10 5.2456166e-10 1.2200417e-10 ] [ 4.4188721e-10 3.5970685e-10 3.0419461e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 1e-06 -1.14e-05 ] [ -6.3e-06 5.5e-06 5.2e-06 ] [ 8.9e-06 1.32e-05 9.3e-06 ] [ -8.5e-06 2.4e-06 1.1e-05 ] [ 1.16e-05 -1.21e-05 4.4e-06 ] [ -3.5e-06 -8.5e-06 -1.16e-05 ] [ -1.3e-06 -1.6e-06 -7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-15 1.6021766208e-15 -1.826481347712e-14 ] [ -1.009371271104e-14 8.8119714144e-15 8.33131842816e-15 ] [ 1.425937192512e-14 2.114873139456e-14 1.490024257344e-14 ] [ -1.36185012768e-14 3.84522388992e-15 1.76239428288e-14 ] [ 1.858524880128e-14 -1.938633711168e-14 7.04957713152e-15 ] [ -5.6076181728e-15 -1.36185012768e-14 -1.858524880128e-14 ] [ -2.08282960704e-15 -2.56348259328e-15 -1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }