{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.180741 1.807495 3.286589 ] [ 1.505757 3.902776 3.777072 ] [ 3.192251 2.03593 2.264645 ] [ 4.9286 1.191695 3.764737 ] [ 3.540921 2.872007 4.34408 ] [ 3.412542 4.892248 3.711531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.180741e-10 1.807495e-10 3.286589e-10 ] [ 1.505757e-10 3.902776e-10 3.777072e-10 ] [ 3.192251e-10 2.03593e-10 2.264645e-10 ] [ 4.928600000000001e-10 1.191695e-10 3.764737e-10 ] [ 3.540921e-10 2.872007e-10 4.34408e-10 ] [ 3.412542e-10 4.892248000000001e-10 3.711531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0456923 -1.9002211 -0.7577805 ] [ -5.7859385 2.2274424 0.4517052 ] [ 0.6085871 -1.9982039 -2.6396137 ] [ 0.7435596 -0.8695747 -0.680366 ] [ 2.8050823 -2.505377 4.8183939 ] [ 2.6744019 5.0459344 -1.192339 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.67538375561058e-09 -3.044489820770859e-09 -1.214098200798134e-09 ] [ -9.270095394086622e-09 3.568756137458642e-09 7.237115109337881e-10 ] [ 9.750640233404718e-10 -3.201475572171381e-09 -4.229127358083385e-09 ] [ 1.1913138072914e-09 -1.393212254379174e-09 -1.090066498787213e-09 ] [ 4.494237280479892e-09 -4.014056455690042e-09 7.719918056385333e-09 ] [ 4.284864198803099e-09 8.084478125770476e-09 -1.910337669868051e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.568129 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.334071569259849e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1004891 1.9528066 2.9132852 ] [ 1.1429241 4.1290051 3.5512203 ] [ 3.0854975 1.3125174 2.0219981 ] [ 4.7510333 1.4037107 3.5589773 ] [ 4.4358204 3.1087651 5.0211896 ] [ 3.2450477 4.7953461 4.0819834 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1004891e-10 1.9528066e-10 2.9132852e-10 ] [ 1.1429241e-10 4.1290051e-10 3.551220300000001e-10 ] [ 3.0854975e-10 1.3125174e-10 2.0219981e-10 ] [ 4.7510333e-10 1.4037107e-10 3.5589773e-10 ] [ 4.4358204e-10 3.1087651e-10 5.021189599999999e-10 ] [ 3.2450477e-10 4.7953461e-10 4.0819834e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.59e-05 -4.11e-05 2.6e-06 ] [ -1.97e-05 0.0001214 4.86e-05 ] [ -4.8e-06 1.22e-05 7.1e-06 ] [ 3.65e-05 -2.68e-05 4.02e-05 ] [ -2.65e-05 -7.07e-05 -6.35e-05 ] [ -7.14e-05 5.1e-06 -3.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.3762697172672e-13 -6.584945911488e-14 4.16565921408e-15 ] [ -3.156287942976e-14 1.9450424176512e-13 7.786578377088e-14 ] [ -7.69044777984e-15 1.954655477376e-14 1.137545400768e-14 ] [ 5.84794466592e-14 -4.293833343744e-14 6.440750015616e-14 ] [ -4.24576804512e-14 -1.1327388709056e-13 -1.017382154208e-13 ] [ -1.1439541072512e-13 8.17110076608e-15 -5.6076181728e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.140193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.906379312139982e-18 } }