{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5560552 -0.7123562 -1.8176958 ] [ -2.3975487 3.1828768 -0.9719775 ] [ -1.5106362 -2.1170206 0.7808477 ] [ 1.6249281 0.1466042 0.8300292 ] [ 0.6483809 0.9535294 0.7389599 ] [ -2.4040898 -0.3383054 0.3851318 ] [ 2.4829104 -1.1153281 0.0547048 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.493075282654197e-09 -1.141320458725031e-09 -2.912269738479937e-09 ] [ -3.841296506017076e-09 5.099530837860691e-09 -1.557279639273735e-09 ] [ -2.42030602211455e-09 -3.39184093901666e-09 1.251055939652642e-09 ] [ 2.603421833750015e-09 2.348858236862628e-10 1.329853389777713e-09 ] [ 1.038820727911891e-09 1.527722524512039e-09 1.183944285242976e-09 ] [ -3.851776503597733e-09 -5.420250070360235e-10 6.170491709703612e-10 ] [ 3.978061027195593e-09 -1.786952621063615e-09 8.764675232764318e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -28.836667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.620143406983887e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7612617 2.1459637 3.3909688 ] [ 1.718683 5.3487077 2.1911612 ] [ 0.8249928 3.3254037 2.8742295 ] [ 2.6056362 3.3070115 1.226693 ] [ 2.5173582 4.3575781 4.2230719 ] [ 4.6952571 2.7278367 2.2450478 ] [ 3.9914486 4.9311018 2.4507177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7612617e-10 2.1459637e-10 3.3909688e-10 ] [ 1.718683e-10 5.348707700000001e-10 2.1911612e-10 ] [ 8.249928e-11 3.3254037e-10 2.8742295e-10 ] [ 2.6056362e-10 3.3070115e-10 1.226693e-10 ] [ 2.5173582e-10 4.3575781e-10 4.2230719e-10 ] [ 4.6952571e-10 2.7278367e-10 2.2450478e-10 ] [ 3.9914486e-10 4.9311018e-10 2.4507177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.07e-05 3.21e-05 -2.8e-06 ] [ 1.2e-05 -1.72e-05 1.49e-05 ] [ 1.1e-05 -1.15e-05 6e-07 ] [ -2.07e-05 6.69e-05 6.67e-05 ] [ -2.8e-05 -1.64e-05 -8.99e-05 ] [ -7.4e-06 -3.97e-05 1.32e-05 ] [ -7.8e-06 -1.42e-05 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.520858900379999e-14 5.14298699514e-14 -4.486094575199999e-15 ] [ 1.9226119608e-14 -2.75574381048e-14 2.38724318466e-14 ] [ 1.7623942974e-14 -1.8425031291e-14 9.613059803999998e-16 ] [ -3.316505632379999e-14 1.071856168146e-13 1.068651814878e-13 ] [ -4.486094575199999e-14 -2.62756967976e-14 -1.440356793966e-13 ] [ -1.18561070916e-14 -6.36064123698e-14 2.11487315688e-14 ] [ -1.24969777452e-14 -2.27509082028e-14 -4.3258769118e-15 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497209018275e-18 } }