{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1651725 -1.0610289 -1.8908025 ] [ 3.9092263 -0.7561167 -0.43726 ] [ 0.2890131 0.5740949 0.2023267 ] [ -5.2618071 2.9905115 2.5894418 ] [ -0.1016048 -1.7474607 -0.4637061 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.866812154079365e-09 -1.699955711578722e-09 -3.029399585008784e-09 ] [ 6.263271034878274e-09 -1.211432509317188e-09 -7.0056775498284e-10 ] [ 4.630500357399054e-10 9.198014344785664e-10 3.241631111743277e-10 ] [ -8.430344388235302e-09 4.791327649008291e-09 4.1487431470629e-09 ] [ -1.627888364622432e-10 -2.799740702373284e-09 -7.429390784632673e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.351553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.61980761462126e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.306793 2.066751 2.1626351 ] [ 2.1474259 1.8622102 4.4835379 ] [ 2.1166826 4.3956649 2.2077512 ] [ 4.0639519 1.0769688 3.3355847 ] [ 3.6946945 3.3664362 3.590715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.306793e-10 2.066751e-10 2.1626351e-10 ] [ 2.1474259e-10 1.8622102e-10 4.4835379e-10 ] [ 2.1166826e-10 4.3956649e-10 2.2077512e-10 ] [ 4.0639519e-10 1.0769688e-10 3.3355847e-10 ] [ 3.6946945e-10 3.3664362e-10 3.590715e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.25e-05 3e-05 -4.12e-05 ] [ 2.13e-05 5.72e-05 8.2e-06 ] [ 4.02e-05 -7.15e-05 4.07e-05 ] [ 1.45e-05 2.64e-05 -7.5e-06 ] [ -6.36e-05 -4.22e-05 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0027207925e-14 4.806529901999999e-14 -6.600967732079998e-14 ] [ 3.41263623042e-14 9.164450346479999e-14 1.31378483988e-14 ] [ 6.44075006868e-14 -1.14555629331e-13 6.520858900379999e-14 ] [ 2.3231561193e-14 4.22974631376e-14 -1.2016324755e-14 ] [ -1.018984339224e-13 -6.761185395480001e-14 -1.602176634e-16 ] ] } "relaxed-potential-energy" { "source-value" -18.979559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.04086059534244e-18 } }