{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0572154 -2.3115503 -1.818324 ] [ -1.1136661 -2.4327273 2.1965902 ] [ -3.03775 1.1032258 4.9278333 ] [ -5.973873 2.8388986 -2.0237771 ] [ 2.486638 -2.7549498 -6.0335739 ] [ 6.6312573 -5.0588731 5.4884787 ] [ 1.0646091 8.6159762 -2.7372272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.166917622972033e-11 -3.703511848463226e-09 -2.913276201839539e-09 ] [ -1.784289788797515e-09 -3.897658804841907e-09 3.519325463918396e-09 ] [ -4.8670120298352e-09 1.767562584223377e-09 7.895259304459713e-09 ] [ -9.571199656228359e-09 4.548416965741851e-09 -3.242448355330424e-09 ] [ 3.984033267992871e-09 -4.413916161037636e-09 -9.666851042449078e-09 ] [ 1.062444541256933e-08 -8.10520820841402e-09 8.793512256898776e-09 ] [ 1.705691810310929e-09 1.380431563300923e-08 -4.385521425657846e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.9503535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.329164021595453e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9246858 1.7314882 2.4730058 ] [ 1.5300465 0.9646108 4.7449492 ] [ 2.1766584 3.1785308 5.5151742 ] [ 1.349127 4.1098577 3.373991 ] [ 4.249303 2.583837 2.5539393 ] [ 4.4801004 2.8493531 4.9278424 ] [ 3.3813119 4.8356994 2.2564191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9246858e-10 1.7314882e-10 2.4730058e-10 ] [ 1.5300465e-10 9.646108e-11 4.7449492e-10 ] [ 2.1766584e-10 3.1785308e-10 5.5151742e-10 ] [ 1.349127e-10 4.1098577e-10 3.373991e-10 ] [ 4.249303e-10 2.583837e-10 2.5539393e-10 ] [ 4.480100400000001e-10 2.8493531e-10 4.9278424e-10 ] [ 3.3813119e-10 4.835699400000001e-10 2.2564191e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.44e-05 -2.82e-05 -4.17e-05 ] [ 7e-06 1.99e-05 5e-07 ] [ -1.81e-05 -1.09e-05 6.01e-05 ] [ 1.9e-05 2.48e-05 -1.41e-05 ] [ -3.74e-05 -1.5e-06 2.5e-06 ] [ 3.5e-06 2.27e-05 -3.19e-05 ] [ 1.6e-06 -2.69e-05 2.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.909310954752e-14 -4.518138070656001e-14 -6.681076508736e-14 ] [ 1.12152363456e-14 3.188331475392e-14 8.010883104e-16 ] [ -2.899939683648e-14 -1.746372516672e-14 9.629081491008e-14 ] [ 3.04413557952e-14 3.973398019584e-14 -2.259069035328e-14 ] [ -5.992140561792e-14 -2.4032649312e-15 4.005441552e-15 ] [ 5.6076181728e-15 3.636940929216e-14 -5.110943420352001e-14 ] [ 2.56348259328e-15 -4.309855109952001e-14 3.941354487168e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }