{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0562655 -5.510472 -6.0061381 ] [ -2.8162565 -7.0585684 3.7928633 ] [ 0.2918596 3.4162268 -2.3469187 ] [ -5.4619117 3.6252046 1.8366741 ] [ 0.7427539 -0.8034051 -0.0149288 ] [ 0.3238039 1.4656943 -1.2478203 ] [ 7.9760162 4.8653199 3.9862685 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.692323889457623e-09 -8.828749407973017e-09 -9.622894045116133e-09 ] [ -4.512140322476036e-09 -1.130907326679766e-08 6.076836905150337e-09 ] [ 4.676106276760397e-10 5.473398710310398e-09 -3.760178272058329e-09 ] [ -8.750947230613984e-09 5.808218055736616e-09 2.942676303048882e-09 ] [ 1.190022933588021e-09 -1.287196868251486e-09 -2.391857433659904e-11 ] [ 5.187910383038611e-10 2.348301140699821e-09 -1.999228511619643e-09 ] [ 1.277898668276206e-08 7.795101796492995e-09 6.386706194931486e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7805748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.406803166174564e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.422699 1.6094027 2.8980326 ] [ 2.5743886 1.7815416 5.2243576 ] [ 2.7931263 4.0062737 3.0165814 ] [ 1.0613605 3.5189119 4.7013637 ] [ 4.3241243 1.3349115 1.6914296 ] [ 4.2792953 3.5599875 1.3016016 ] [ 4.0901621 3.4914281 4.875553 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.422699e-10 1.6094027e-10 2.8980326e-10 ] [ 2.5743886e-10 1.7815416e-10 5.2243576e-10 ] [ 2.7931263e-10 4.006273700000001e-10 3.0165814e-10 ] [ 1.0613605e-10 3.5189119e-10 4.701363700000001e-10 ] [ 4.3241243e-10 1.3349115e-10 1.6914296e-10 ] [ 4.2792953e-10 3.5599875e-10 1.3016016e-10 ] [ 4.0901621e-10 3.4914281e-10 4.875553e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.43e-05 9.3e-06 1.7e-06 ] [ 1.27e-05 4e-07 -3.14e-05 ] [ -1.89e-05 -1.3e-06 -2.19e-05 ] [ 4e-07 1.79e-05 7.2e-06 ] [ 5.5e-06 3.5e-06 -1.8e-06 ] [ -1.69e-05 -2.08e-05 1.63e-05 ] [ 2.9e-06 -8.9e-06 2.99e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.291112567744e-14 1.490024257344e-14 2.72370025536e-15 ] [ 2.034764308416e-14 6.408706483200001e-16 -5.030834589312e-14 ] [ -3.028113813312e-14 -2.08282960704e-15 -3.508766799552e-14 ] [ 6.408706483200001e-16 2.867896151232001e-14 1.153567166976e-14 ] [ 8.8119714144e-15 5.6076181728e-15 -2.88391791744e-15 ] [ -2.707678489152e-14 -3.332527371264e-14 2.611547891904e-14 ] [ 4.646312200320001e-15 -1.425937192512e-14 4.790508096192e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.168992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.109905110190223e-18 } }