{ "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" [ [ 0.9192407 0.3679632 0.2084149 ] [ 0.7009294 0.9640354 2.373703 ] [ 0.5234459 2.737555 0.0024849 ] [ 2.754814 0.6958427 0.7664459 ] [ 2.641472 1.152124 2.712512 ] [ 2.849889 2.552424 1.475764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.192407e-11 3.679632e-11 2.084149e-11 ] [ 7.009294e-11 9.640354e-11 2.373703e-10 ] [ 5.234459e-11 2.737555e-10 2.4849e-13 ] [ 2.754814e-10 6.958427e-11 7.664459e-11 ] [ 2.641472e-10 1.152124e-10 2.712512e-10 ] [ 2.849889e-10 2.552424e-10 1.475764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.5632663 -1.0495251 -3.7167228 ] [ -12.9724127 -1.732842 0.6324068 ] [ 2.9864935 -1.0947158 1.7476241 ] [ 12.0482547 -8.7974513 -9.6097662 ] [ 7.7284194 -9.1605436 20.6966517 ] [ 0.7725114 21.8350778 -9.7501936 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.692421830514452e-08 -1.681524578162782e-09 -5.954846376154314e-09 ] [ -2.0784096343309e-08 -2.776318939940314e-09 1.013227389794941e-09 ] [ 4.784890063871165e-09 -1.753928061180369e-09 2.800002474966641e-09 ] [ 1.930343200178372e-08 -1.409507079548657e-08 -1.539654273699406e-08 ] [ 1.238229287841716e-08 -1.467680878973907e-08 3.315969148258058e-08 ] [ 1.237699704381477e-09 3.49836511645091e-08 -1.562153223419379e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6067628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.218737751813115e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8680265 0.32387 0.0827624 ] [ 0.2970808 1.0327834 2.3079343 ] [ 0.6063469 2.6637636 0.5689162 ] [ 3.1503201 0.4669064 0.6227961 ] [ 2.5793751 1.1758204 2.8479673 ] [ 2.8886414 2.8068006 1.1089484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.680265e-11 3.2387e-11 8.27624e-12 ] [ 2.970808e-11 1.0327834e-10 2.3079343e-10 ] [ 6.063469000000001e-11 2.6637636e-10 5.689162e-11 ] [ 3.1503201e-10 4.669064e-11 6.227961e-11 ] [ 2.5793751e-10 1.1758204e-10 2.8479673e-10 ] [ 2.8886414e-10 2.8068006e-10 1.1089484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.22e-05 -1.1e-06 9e-07 ] [ -6.3e-06 -3e-07 -4.6e-06 ] [ -6.6e-06 8e-07 -8e-07 ] [ 1.39e-05 -4e-07 6e-07 ] [ 6.2e-06 4.4e-06 -2.2e-06 ] [ 5e-06 -3.4e-06 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.954655477376e-14 -1.76239428288e-15 1.44195895872e-15 ] [ -1.009371271104e-14 -4.8065298624e-16 -7.370012455680001e-15 ] [ -1.057436569728e-14 1.28174129664e-15 -1.28174129664e-15 ] [ 2.227025502912e-14 -6.408706483200001e-16 9.6130597248e-16 ] [ 9.93349504896e-15 7.04957713152e-15 -3.52478856576e-15 ] [ 8.010883104e-15 -5.44740051072e-15 9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.816992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.014814465618063e-18 } }