{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4165422 -0.6854211 1.146649 ] [ -0.182238 0.2457148 -1.0562039 ] [ -1.6561331 -0.3930602 0.2355769 ] [ -0.7420872 -0.6205067 0.42617 ] [ 0.3009192 0.6917641 -1.5648437 ] [ 1.442188 1.3766196 -0.2004031 ] [ 0.4208088 -0.6151104 1.0130549 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.673741744165977e-10 -1.098165661823019e-09 1.837134220063699e-09 ] [ -2.919774630213504e-10 3.936785079445478e-10 -1.692225195377781e-09 ] [ -2.653417733753029e-09 -6.297518630069722e-10 3.774358015805395e-10 ] [ -1.188954762434934e-09 -9.941613277897593e-10 6.82799610486336e-10 ] [ 4.821257069898394e-10 1.108328268128753e-09 -2.507155991346169e-09 ] [ 2.310639896398311e-09 2.205587738855048e-09 -3.210811615558445e-10 ] [ 6.74210021186903e-10 -9.855155020909363e-10 1.623092876366882e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.572022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.296001269098326e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.316499 2.4636074 2.1225977 ] [ 3.3738314 4.2118264 1.0374309 ] [ 2.0624952 3.1994732 4.2912713 ] [ 5.5428372 3.0925261 1.254976 ] [ 4.4808539 1.6773404 2.7418104 ] [ 4.9324466 4.8939566 2.8000165 ] [ 4.3570876 3.3566558 4.430193 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.316499e-10 2.4636074e-10 2.1225977e-10 ] [ 3.3738314e-10 4.2118264e-10 1.0374309e-10 ] [ 2.0624952e-10 3.1994732e-10 4.2912713e-10 ] [ 5.5428372e-10 3.0925261e-10 1.254976e-10 ] [ 4.4808539e-10 1.6773404e-10 2.7418104e-10 ] [ 4.9324466e-10 4.8939566e-10 2.8000165e-10 ] [ 4.3570876e-10 3.3566558e-10 4.430193e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.78e-05 -4.52e-05 -3.7e-06 ] [ -1.84e-05 2.5e-06 -2.2e-06 ] [ -2.28e-05 2.81e-05 7.3e-06 ] [ 3.97e-05 3.22e-05 1.44e-05 ] [ 4.1e-06 -6.6e-06 -2.88e-05 ] [ 2.98e-05 -6.7e-06 -2.15e-05 ] [ 1.53e-05 -4.2e-06 3.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.658404247424001e-14 -7.241838326016e-14 -5.928053496960001e-15 ] [ -2.948004982272e-14 4.005441552e-15 -3.52478856576e-15 ] [ -3.652962695424e-14 4.502116304448e-14 1.169588933184e-14 ] [ 6.360641184576e-14 5.159008718975999e-14 2.307134333952e-14 ] [ 6.568924145279999e-15 -1.057436569728e-14 -4.614268667904e-14 ] [ 4.774486329984001e-14 -1.073458335936e-14 -3.44467973472e-14 ] [ 2.451330229824e-14 -6.72914180736e-15 5.52750934176e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }