{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.959678 -1.1904265 3.924046 ] [ 6.0217382 8.5818934 -5.472098 ] [ 8.2834394 -4.691762 -0.4479776 ] [ -4.6892124 -4.3297951 6.2608584 ] [ -3.9901203 -4.1527802 -6.6793043 ] [ -3.9903584 2.8496215 7.7353953 ] [ -8.5951646 2.9332487 -5.3209198 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.11506333798961e-08 -1.907273507080771e-09 6.287014760143757e-09 ] [ 9.647888160618274e-09 1.374970896767782e-08 -8.76726748232644e-09 ] [ 1.327153294649358e-08 -7.51703138675785e-09 -7.177392373620941e-10 ] [ -7.512946477245458e-09 -6.937096482074399e-09 1.003100095461929e-08 ] [ -6.392877458839483e-09 -6.653487347761148e-09 -1.070142519266891e-08 ] [ -6.393258937092895e-09 4.565596945429027e-09 1.23934695023062e-08 ] [ -1.377097177404778e-08 4.699582490131993e-09 -8.525053304711812e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.472026 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.003680399120974e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0757128 2.6287647 1.2315768 ] [ 2.8798428 1.8749684 3.1420664 ] [ 2.0998299 3.9350461 3.0303984 ] [ 3.9199369 1.3874784 1.2591544 ] [ 5.0838495 1.9266078 3.0750187 ] [ 3.9754734 3.4766243 1.9642765 ] [ 3.9589566 3.5010892 4.1697099 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0757128e-10 2.6287647e-10 1.2315768e-10 ] [ 2.8798428e-10 1.8749684e-10 3.1420664e-10 ] [ 2.0998299e-10 3.9350461e-10 3.0303984e-10 ] [ 3.9199369e-10 1.3874784e-10 1.2591544e-10 ] [ 5.083849500000001e-10 1.9266078e-10 3.0750187e-10 ] [ 3.9754734e-10 3.4766243e-10 1.9642765e-10 ] [ 3.9589566e-10 3.5010892e-10 4.1697099e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 -1.3e-05 -2.23e-05 ] [ -4.32e-05 2.78e-05 0.000102 ] [ -8.21e-05 -1.99e-05 -4.27e-05 ] [ 3.66e-05 7.8e-05 -8.4e-06 ] [ -4.85e-05 7e-07 8.08e-05 ] [ -1.41e-05 3.49e-05 -8.31e-05 ] [ 0.0001464 -0.0001085 -2.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 -2.08282960704e-14 -3.572853864384e-14 ] [ -6.921403001856e-14 4.454051005824e-14 1.634220153216e-13 ] [ -1.3153870056768e-13 -3.188331475392e-14 -6.841294170816001e-14 ] [ 5.863966432128e-14 1.249697764224e-13 -1.345828361472e-14 ] [ -7.77055661088e-14 1.12152363456e-15 1.2945587096064e-13 ] [ -2.259069035328e-14 5.591596406592e-14 -1.3314087718848e-13 ] [ 2.3455865728512e-13 -1.738361633568e-13 -4.213724512704e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }