{ "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" [ [ 2.700341 1.969723 2.203994 ] [ 1.820171 2.226461 4.644887 ] [ 1.683397 4.142957 3.874532 ] [ 4.686676 2.237231 1.35428 ] [ 4.257123 2.593073 3.820407 ] [ 3.357584 4.187851 2.029918 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700341e-10 1.969723e-10 2.203994e-10 ] [ 1.820171e-10 2.226461e-10 4.644887e-10 ] [ 1.683397e-10 4.142957e-10 3.874532e-10 ] [ 4.686676000000001e-10 2.237231e-10 1.35428e-10 ] [ 4.257123e-10 2.593073e-10 3.820407e-10 ] [ 3.357584e-10 4.187851e-10 2.029918e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2568737 -6.8749279 -3.2991241 ] [ -0.3729532 -2.3638044 1.9387094 ] [ -2.0861641 4.8507695 0.1021923 ] [ 5.5325993 -2.2897731 -4.8782104 ] [ 5.0590299 -1.2723701 7.6421959 ] [ -1.8756383 7.950106 -1.5057632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.002461676143839e-08 -1.101484875106564e-08 -5.285779502137841e-09 ] [ -5.975368976925465e-10 -3.787232145824171e-09 3.106154875205196e-09 ] [ -3.342403348172273e-09 7.771789485789706e-09 1.637301138857798e-10 ] [ 8.864201250714445e-09 -3.668620927756741e-09 -7.815754654223418e-09 ] [ 8.105459429708162e-09 -2.038561627224958e-09 1.224414760255362e-08 ] [ -3.005103833337057e-09 1.273747396608181e-08 -2.412498595500995e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8310188 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.342321996805272e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3299039 1.3188615 2.0792307 ] [ 2.2261787 2.1865592 4.2462195 ] [ 1.8241135 4.3379017 3.6564267 ] [ 4.2787641 2.5870681 1.8488077 ] [ 4.5578841 2.3032738 4.1512086 ] [ 3.2884477 4.6236318 1.9461248 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3299039e-10 1.3188615e-10 2.0792307e-10 ] [ 2.2261787e-10 2.1865592e-10 4.2462195e-10 ] [ 1.8241135e-10 4.3379017e-10 3.6564267e-10 ] [ 4.2787641e-10 2.5870681e-10 1.8488077e-10 ] [ 4.5578841e-10 2.3032738e-10 4.151208600000001e-10 ] [ 3.2884477e-10 4.6236318e-10 1.9461248e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.3e-06 2.5e-06 4.8e-06 ] [ 5.9e-06 -1.2e-06 -1e-05 ] [ 7.2e-06 2.1e-06 5e-06 ] [ -8.8e-06 4.4e-06 1.57e-05 ] [ -7.1e-06 -1e-05 -1.5e-06 ] [ -6.5e-06 2.2e-06 -1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.490024257344e-14 4.005441552e-15 7.69044777984e-15 ] [ 9.45284206272e-15 -1.92261194496e-15 -1.6021766208e-14 ] [ 1.153567166976e-14 3.36457090368e-15 8.010883104e-15 ] [ -1.409915426304e-14 7.04957713152e-15 2.515417294656e-14 ] [ -1.137545400768e-14 -1.6021766208e-14 -2.4032649312e-15 ] [ -1.04141480352e-14 3.52478856576e-15 -2.24304726912e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.433831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831901671437829e-18 } }