{ "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" [ [ 0.5419945 1.059703 1.497036 ] [ 0.5287309 2.297187 0.1799033 ] [ 1.173246 2.181689 2.79912 ] [ 2.288869 1.000101 0.1162968 ] [ 2.25753 0.9328521 1.885741 ] [ 2.965412 2.910996 0.3877363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.419945000000001e-11 1.059703e-10 1.497036e-10 ] [ 5.287309e-11 2.297187e-10 1.799033e-11 ] [ 1.173246e-10 2.181689e-10 2.79912e-10 ] [ 2.288869e-10 1.000101e-10 1.162968e-11 ] [ 2.25753e-10 9.328521e-11 1.885741e-10 ] [ 2.965412e-10 2.910996e-10 3.877363e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.7504235 -6.6603572 0.8138841 ] [ -7.23292 6.2900444 -6.4223533 ] [ -1.9532556 8.326922 9.6097778 ] [ 5.9367662 -6.4813844 -11.2933745 ] [ 12.7143778 -9.041623 8.8004881 ] [ 5.2854552 7.566398 -1.5084222 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.363278367859891e-08 -1.067106859201695e-08 1.303986077060849e-09 ] [ -1.158841532411674e-08 1.007776208147396e-08 -1.028974430777773e-08 ] [ -3.129460456766677e-09 1.334119975162518e-08 1.539656132224286e-08 ] [ 9.511748008795658e-09 -1.038432255609783e-08 -1.809398059383889e-08 ] [ 2.037067885917854e-08 -1.448627698468756e-08 1.409993628544861e-08 ] [ 8.468232751725789e-09 1.212270597926788e-08 -2.416758783135702e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.8497207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.565755881349812e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3343441 0.5386463 1.4983079 ] [ 0.4753747 2.6829425 0.1529579 ] [ 1.1550307 2.6718613 2.5954569 ] [ 2.096896 0.7889738 -0.3068425 ] [ 2.7765564 0.7779054 2.135654 ] [ 2.9175806 2.9221988 0.7902992 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.343441e-11 5.386463000000001e-11 1.4983079e-10 ] [ 4.753747e-11 2.6829425e-10 1.529579e-11 ] [ 1.1550307e-10 2.6718613e-10 2.5954569e-10 ] [ 2.096896e-10 7.889738e-11 -3.068425e-11 ] [ 2.7765564e-10 7.779054e-11 2.135654e-10 ] [ 2.9175806e-10 2.9221988e-10 7.902992e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 6.94e-05 3.28e-05 ] [ -1.21e-05 -6.08e-05 2.03e-05 ] [ -3.71e-05 -3.19e-05 -3.01e-05 ] [ 3.82e-05 0.0001083 3.66e-05 ] [ -4.4e-06 2.02e-05 -4.3e-05 ] [ 1.26e-05 -0.0001052 -1.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 1.1119105748352e-13 5.255139316223999e-14 ] [ -1.938633711168e-14 -9.741233854464e-14 3.252418540224e-14 ] [ -5.944075263168e-14 -5.110943420352001e-14 -4.822551628608e-14 ] [ 6.120314691456e-14 1.7351572803264e-13 5.863966432128e-14 ] [ -7.04957713152e-15 3.236396774016e-14 -6.889359469439999e-14 ] [ 2.018742542208e-14 -1.6854898050816e-13 -2.659613190528e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.869792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.503926944415888e-18 } }