{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4248334 -3.4255574 3.6291751 ] [ -7.7887154 15.6345681 -1.1755028 ] [ -18.7111449 -7.1115322 -16.5188796 ] [ 6.750542 -15.3819116 -6.7704278 ] [ 5.8551167 -3.7471329 6.4782972 ] [ 22.3369168 15.0242227 -7.3148596 ] [ -4.0178817 -0.9926568 21.6721975 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.089364624414974e-09 -5.488347979488434e-09 5.814579498009503e-09 ] [ -1.247889771994492e-08 2.504933948612547e-08 -1.883363103844938e-09 ] [ -2.997855890718116e-08 -1.139393062890639e-08 -2.646616269693006e-08 ] [ 1.081556057012847e-08 -2.464453914873232e-08 -1.084742113397438e-08 ] [ 9.380931088795648e-09 -6.003568727410504e-09 1.03793763164341e-08 ] [ 3.578768587771475e-08 2.407145835563265e-08 -1.171969703555444e-08 ] [ -6.43735612488016e-09 -1.590411517438141e-09 3.472268815586021e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.9716327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.116978692074478e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7434525 2.7692585 3.6886396 ] [ 3.1785917 5.3391727 1.3780803 ] [ 2.5377477 3.0648776 1.4806237 ] [ 4.6422959 1.9941596 1.5969021 ] [ 5.4382723 3.2201904 3.4549515 ] [ 5.1340405 5.4438767 2.7091098 ] [ 3.6989025 2.8739556 5.0196659 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7434525e-10 2.7692585e-10 3.6886396e-10 ] [ 3.1785917e-10 5.3391727e-10 1.3780803e-10 ] [ 2.5377477e-10 3.0648776e-10 1.4806237e-10 ] [ 4.6422959e-10 1.9941596e-10 1.5969021e-10 ] [ 5.4382723e-10 3.2201904e-10 3.4549515e-10 ] [ 5.134040500000001e-10 5.4438767e-10 2.7091098e-10 ] [ 3.6989025e-10 2.8739556e-10 5.0196659e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.34e-05 1.27e-05 -2.64e-05 ] [ 3.43e-05 -1.28e-05 3.39e-05 ] [ -4.11e-05 -3.04e-05 -1.71e-05 ] [ -8.2e-06 1.69e-05 6.4e-06 ] [ 7.5e-06 -2.77e-05 -2.15e-05 ] [ -2.62e-05 2.01e-05 2.5e-06 ] [ -1.98e-05 2.12e-05 2.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.555623155072e-14 2.034764308416e-14 -4.229746278912e-14 ] [ 5.495465809344e-14 -2.050786074624e-14 5.431378744512e-14 ] [ -6.584945911488e-14 -4.870616927232e-14 -2.739722021568e-14 ] [ -1.313784829056e-14 2.707678489152e-14 1.025393037312e-14 ] [ 1.2016324656e-14 -4.438029239616e-14 -3.44467973472e-14 ] [ -4.197702746496e-14 3.220375007808e-14 4.005441552e-15 ] [ -3.172309709184e-14 3.396614436096001e-14 3.556832098176e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }