{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5965172 -2.6079316 -3.768851 ] [ -2.7167833 -1.5388972 1.1724799 ] [ 1.6192452 1.5623128 1.2131141 ] [ -2.9200918 2.8710241 1.7642058 ] [ -0.7945367 0.9842471 0.1975429 ] [ 3.1732816 -1.4154413 -0.3568391 ] [ 0.0423679 0.1446862 -0.2216526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.557902532545078e-09 -4.178367038165538e-09 -6.038364959478701e-09 ] [ -4.352766687039873e-09 -2.465585115654582e-09 1.878519884137922e-09 ] [ 2.59431680278262e-09 2.503101042536586e-09 1.943623049382834e-09 ] [ -4.678502812549789e-09 4.599887690773362e-09 2.826569287039761e-09 ] [ -1.272988125107583e-09 1.5769376927102e-09 3.164986159850323e-10 ] [ 5.084157590734817e-09 -2.267786958974759e-09 -5.717192634073134e-10 ] [ 6.788085885239232e-11 2.318128469923929e-10 -3.551266136595341e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3730781589289265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.021079682876703e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4058203 0.8577005 2.1719986 ] [ 0.7602841 1.49165 3.7684811 ] [ 2.1353807 2.397076 5.4408093 ] [ 2.3081263 3.2262639 3.2032222 ] [ 4.5306972 0.2212142 3.0024449 ] [ 4.3163961 2.3580901 2.021975 ] [ 4.2707803 2.0854479 4.4401247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4058203e-10 8.577005e-11 2.1719986e-10 ] [ 7.602841000000001e-11 1.49165e-10 3.7684811e-10 ] [ 2.1353807e-10 2.397076000000001e-10 5.4408093e-10 ] [ 2.3081263e-10 3.226263900000001e-10 3.2032222e-10 ] [ 4.5306972e-10 2.212142e-11 3.0024449e-10 ] [ 4.3163961e-10 2.3580901e-10 2.021975e-10 ] [ 4.270780300000001e-10 2.0854479e-10 4.4401247e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.6e-06 8e-07 1.31e-05 ] [ -7.2e-06 1.9e-06 -3.3e-06 ] [ 3.5e-06 -2.53e-05 4.7e-06 ] [ 9.7e-06 1.52e-05 1.11e-05 ] [ 9.9e-06 -3.2e-06 1.24e-05 ] [ 1.92e-05 -5.8e-06 -2e-05 ] [ -2.54e-05 1.64e-05 -1.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.538089555968e-14 1.28174129664e-15 2.098851373248e-14 ] [ -1.153567166976e-14 3.04413557952e-15 -5.28718284864e-15 ] [ 5.6076181728e-15 -4.053506850624e-14 7.53023011776e-15 ] [ 1.554111322176e-14 2.435308463616e-14 1.778416049088e-14 ] [ 1.586154854592e-14 -5.126965186560001e-15 1.986699009792e-14 ] [ 3.076179111936e-14 -9.292624400640001e-15 -3.2043532416e-14 ] [ -4.069528616832e-14 2.627569658112e-14 -2.88391791744e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.968453158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.276686935517584e-18 } }