{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7508625 -9.8514625 -8.9689751 ] [ -2.6606105 -9.3591459 5.4539013 ] [ 0.8802607 6.5496545 -3.810844 ] [ -9.9662291 6.4755889 4.1724738 ] [ 1.5699831 -1.5143566 -0.1314575 ] [ 0.9470062 2.3790451 -3.4355322 ] [ 10.980452 5.3206766 6.7204337 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.80519096373544e-09 -1.578378289818792e-08 -1.436988221775734e-08 ] [ -4.262767940154999e-09 -1.499500475163618e-08 8.738113155010727e-09 ] [ 1.410333113749043e-09 1.049370331421751e-08 -6.105645162315955e-09 ] [ -1.596765926155663e-08 1.037503714149199e-08 6.685039973260535e-09 ] [ 2.515390217871109e-09 -2.426266740074177e-09 -2.10618133128816e-10 ] [ 1.517271193392649e-09 3.811650439048798e-09 -5.50432937084559e-09 ] [ 1.75926234802166e-08 8.524663655357634e-09 1.076732175577644e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8818702 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.21944167942022e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.7125144 0.5316047 3.2644837 ] [ 2.3851933 1.9618628 4.9618378 ] [ 3.2191227 4.6475937 3.4115703 ] [ 1.2086182 3.6870953 3.9919201 ] [ 4.0462165 1.4928199 1.7169466 ] [ 3.6979989 3.705378 1.4325054 ] [ 4.275492 3.2761027 4.9296557 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7125144e-10 5.316047000000001e-11 3.2644837e-10 ] [ 2.3851933e-10 1.9618628e-10 4.9618378e-10 ] [ 3.2191227e-10 4.6475937e-10 3.4115703e-10 ] [ 1.2086182e-10 3.6870953e-10 3.991920100000001e-10 ] [ 4.0462165e-10 1.4928199e-10 1.7169466e-10 ] [ 3.6979989e-10 3.705378e-10 1.4325054e-10 ] [ 4.275492e-10 3.2761027e-10 4.9296557e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 9.4e-06 -3.5e-06 ] [ -1.18e-05 -1.24e-05 8.9e-06 ] [ 9.3e-06 -4.8e-06 -1.64e-05 ] [ -1.64e-05 4.1e-06 7.7e-06 ] [ 6e-06 1.6e-06 -1.36e-05 ] [ -4.8e-06 -3.9e-06 -1.67e-05 ] [ 1.57e-05 6e-06 3.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-15 1.506046023552e-14 -5.6076181728e-15 ] [ -1.890568412544e-14 -1.986699009792e-14 1.425937192512e-14 ] [ 1.490024257344e-14 -7.69044777984e-15 -2.627569658112e-14 ] [ -2.627569658112e-14 6.568924145279999e-15 1.233675998016e-14 ] [ 9.6130597248e-15 2.56348259328e-15 -2.178960204288e-14 ] [ -7.69044777984e-15 -6.24848882112e-15 -2.675634956736e-14 ] [ 2.515417294656e-14 9.6130597248e-15 5.383313445888e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.636606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.184825132026101e-18 } }