{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.040169 0.3467498 1.049872 ] [ 0.0600036 1.405044 1.572488 ] [ 2.420904 2.65585 0.1683769 ] [ 1.553585 1.595169 0.3590691 ] [ 2.059971 2.654503 2.612695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.040169e-10 3.467498e-11 1.049872e-10 ] [ 6.00036e-12 1.405044e-10 1.572488e-10 ] [ 2.420904e-10 2.65585e-10 1.683769e-11 ] [ 1.553585e-10 1.595169e-10 3.590691e-11 ] [ 2.059971e-10 2.654503e-10 2.612695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.7595679 -92.6957649 7.2020051 ] [ -45.5882751 41.7123277 29.1146496 ] [ 65.8642812 80.5677092 -11.4893082 ] [ -36.7121294 -29.1625943 -21.9756693 ] [ -1.3234446 -0.4216777 -2.8516772 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.845396448489015e-08 -1.485149873699532e-07 1.153888419410237e-08 ] [ -7.304046854781878e-08 6.683051624008824e-08 4.664681091190407e-08 ] [ 1.05526211484437e-07 1.290837000716531e-07 -1.840790098720573e-08 ] [ -5.881931542446434e-08 -4.672362678933534e-08 -3.52089035788923e-08 ] [ -2.120391997044008e-09 -6.756021524527161e-10 -4.568890539908406e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 39.844335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.383766200832317e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.513627 0.0961998 1.4260771 ] [ -0.3469074 1.506048 1.8238457 ] [ 3.1054243 2.9037293 0.3387628 ] [ 1.0396274 1.8702588 -0.0167952 ] [ 1.8228613 2.28108 2.1906107 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.513627e-10 9.619980000000001e-12 1.4260771e-10 ] [ -3.469074e-11 1.506048e-10 1.8238457e-10 ] [ 3.1054243e-10 2.9037293e-10 3.387628e-11 ] [ 1.0396274e-10 1.8702588e-10 -1.67952e-12 ] [ 1.8228613e-10 2.28108e-10 2.1906107e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 3.7e-06 -2.8e-06 ] [ -5.4e-06 -2.7e-06 2.9e-06 ] [ -7.1e-06 -3.2e-06 4.6e-06 ] [ 8.4e-06 -8e-07 2.7e-06 ] [ 6.3e-06 2.9e-06 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 5.928053496960001e-15 -4.48609453824e-15 ] [ -8.65175375232e-15 -4.32587687616e-15 4.646312200320001e-15 ] [ -1.137545400768e-14 -5.126965186560001e-15 7.370012455680001e-15 ] [ 1.345828361472e-14 -1.28174129664e-15 4.32587687616e-15 ] [ 1.009371271104e-14 4.646312200320001e-15 -1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.979559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.040860570289423e-18 } }