{ "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" [ [ 0.1226517 0.1643142 2.08525 ] [ 0.897513 2.739377 0.422181 ] [ 0.4967103 2.508008 2.34433 ] [ 2.384655 1.344784 0.6822557 ] [ 2.452846 2.947826 1.504929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.226517e-11 1.643142e-11 2.08525e-10 ] [ 8.97513e-11 2.739377e-10 4.22181e-11 ] [ 4.967103e-11 2.508008e-10 2.34433e-10 ] [ 2.384655e-10 1.344784e-10 6.822557000000001e-11 ] [ 2.452846e-10 2.947826e-10 1.504929e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1321785 3.414961 -2.5389816 ] [ -12.2328001 3.123777 -16.340507 ] [ -2.5811136 -2.9702744 8.68545 ] [ -1.5278769 -24.0236212 -5.7493319 ] [ 12.2096122 20.4551577 15.9433704 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.620479840217169e-09 5.471370720221274e-09 -4.067896993675934e-09 ] [ -1.959910648861286e-08 5.004842519226617e-09 -2.618037850311344e-08 ] [ -4.135399899619622e-09 -4.758904240248369e-09 1.39156250457753e-08 ] [ -2.447928668808354e-09 -3.849008455070704e-08 -9.211445231290823e-09 ] [ 1.956195537704133e-08 3.277277571172518e-08 2.554409552208723e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.036772 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.608068157918545e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2191631 0.5016647 1.5957494 ] [ 0.6557906 2.4609579 0.3628843 ] [ 0.587944 2.5344592 2.6529604 ] [ 2.3582651 1.0052664 0.8497144 ] [ 2.5332132 3.201961 1.5776373 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.191631e-11 5.016647e-11 1.5957494e-10 ] [ 6.557906000000001e-11 2.4609579e-10 3.628843e-11 ] [ 5.87944e-11 2.5344592e-10 2.6529604e-10 ] [ 2.3582651e-10 1.0052664e-10 8.497144e-11 ] [ 2.5332132e-10 3.201961e-10 1.5776373e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.39e-05 8e-06 1.5e-06 ] [ 6.3e-06 -1.39e-05 -2e-06 ] [ 1.32e-05 -2.4e-06 -4e-07 ] [ 6.3e-06 1.09e-05 -4.1e-06 ] [ -1.18e-05 -2.6e-06 4.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.22702552126e-14 1.2817413072e-14 2.403264951e-15 ] [ 1.00937127942e-14 -2.22702552126e-14 -3.204353268e-15 ] [ 2.11487315688e-14 -3.845223921599999e-15 -6.408706536e-16 ] [ 1.00937127942e-14 1.74637253106e-14 -6.568924199399999e-15 ] [ -1.89056842812e-14 -4.165659248399999e-15 7.850665506599998e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247335191657e-18 } }