{ "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" [ [ 4.1313439 3.2213818 -1.1345723 ] [ -0.5087734 1.4495091 2.8537834 ] [ -7.3697378 -2.3721948 -0.970872 ] [ 0.3600504 -2.7915831 2.5996771 ] [ -0.8937435 0.0429787 -0.4560724 ] [ 5.3007777 1.3233229 1.235992 ] [ -1.0199173 -0.8734146 -4.1279358 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.619142663598432e-09 5.161222649152861e-09 -1.817785228643638e-09 ] [ -8.151448534807355e-10 2.322369610790369e-09 4.572265081977075e-09 ] [ -1.180762170186657e-08 -3.800675079856303e-09 -1.555508433004848e-09 ] [ 5.768643379423536e-10 -4.472609214689284e-09 4.165141905564881e-09 ] [ -1.431934952489379e-09 6.88594688996958e-11 -7.307085426923015e-10 ] [ 8.49278217296826e-09 2.120197029617118e-09 1.980277502210928e-09 ] [ -1.634087666672368e-09 -1.399364463914456e-09 -6.613682285412097e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.445784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.955340412061105e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3403273 1.8278734 3.1748272 ] [ 2.9527492 5.8238774 2.5929579 ] [ 2.6130737 3.6193229 1.5211386 ] [ 4.5038938 1.9862047 2.0196272 ] [ 5.6578168 3.0595702 3.9056093 ] [ 4.9635791 4.4920148 2.0389148 ] [ 3.341863 3.8966276 4.074898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3403273e-10 1.8278734e-10 3.1748272e-10 ] [ 2.9527492e-10 5.8238774e-10 2.5929579e-10 ] [ 2.6130737e-10 3.6193229e-10 1.5211386e-10 ] [ 4.5038938e-10 1.9862047e-10 2.0196272e-10 ] [ 5.6578168e-10 3.0595702e-10 3.9056093e-10 ] [ 4.9635791e-10 4.4920148e-10 2.0389148e-10 ] [ 3.341863e-10 3.8966276e-10 4.074898e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.54e-05 -6.9e-05 5.89e-05 ] [ 4.02e-05 -2.57e-05 -3.1e-05 ] [ 1.03e-05 5.79e-05 -1.12e-05 ] [ 1.72e-05 -2.4e-06 -4.8e-05 ] [ -1.9e-05 1.7e-06 1.03e-05 ] [ -2.59e-05 2.22e-05 1.18e-05 ] [ -7.5e-06 1.53e-05 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.46735201636e-14 -1.10550187746e-13 9.436820374259999e-14 ] [ 6.44075006868e-14 -4.11759394938e-14 -4.966747565399999e-14 ] [ 1.65024193302e-14 9.276602710859999e-14 -1.79443783008e-14 ] [ 2.75574381048e-14 -3.845223921599999e-15 -7.690447843199999e-14 ] [ -3.0441356046e-14 2.7237002778e-15 1.65024193302e-14 ] [ -4.149637482059999e-14 3.55683212748e-14 1.89056842812e-14 ] [ -1.2016324755e-14 2.45133025002e-14 1.49002426962e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.947028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.516301544734375e-18 } }