{ "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" [ [ 0.7872548 2.971705 2.821442 ] [ 1.838331 0.4014098 1.675971 ] [ 2.974058 1.714847 0.8061894 ] [ 1.598524 2.494897 0.1079685 ] [ 2.930835 1.52262 2.533969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.872548000000001e-11 2.971705e-10 2.821442e-10 ] [ 1.838331e-10 4.014098e-11 1.675971e-10 ] [ 2.974058e-10 1.714847e-10 8.061894e-11 ] [ 1.598524e-10 2.494897e-10 1.079685e-11 ] [ 2.930835e-10 1.52262e-10 2.533969e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1789177 -1.5144931 -2.2259831 ] [ -21.1982258 -22.7481142 -6.3480209 ] [ 30.1408957 -2.3902501 -21.8781179 ] [ -23.9360818 13.9224501 -10.5421058 ] [ 12.8144943 12.7304073 40.9942277 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.491010997587308e-09 -2.426485437182916e-09 -3.566418081115909e-09 ] [ -3.396330177919938e-08 -3.64464967385285e-08 -1.017065067432977e-08 ] [ 4.829103842051125e-08 -3.829602828084861e-09 -3.5052609006486e-08 ] [ -3.834983065351638e-08 2.230622405447462e-08 -1.689031544676008e-08 ] [ 2.053108317483486e-08 2.039636094932165e-08 6.567999320869177e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.0254614 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.125603000541284e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1242881 3.2131931 2.5911613 ] [ 1.7037585 0.1866614 1.3243719 ] [ 3.4284022 1.7869192 0.6527648 ] [ 1.0951266 2.3313752 0.4150364 ] [ 2.7774274 1.5873299 2.9622055 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1242881e-10 3.2131931e-10 2.5911613e-10 ] [ 1.7037585e-10 1.866614e-11 1.3243719e-10 ] [ 3.4284022e-10 1.7869192e-10 6.527648e-11 ] [ 1.0951266e-10 2.3313752e-10 4.150364000000001e-11 ] [ 2.7774274e-10 1.5873299e-10 2.9622055e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 2.48e-05 7e-06 ] [ 3.51e-05 1.16e-05 1.1e-06 ] [ -1.54e-05 -8.9e-06 6.6e-06 ] [ -1.17e-05 -4.9e-06 -8.2e-06 ] [ -1.42e-05 -2.26e-05 -6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.93349504896e-15 3.973398019584e-14 1.12152363456e-14 ] [ 5.623639939008e-14 1.858524880128e-14 1.76239428288e-15 ] [ -2.467351996032e-14 -1.425937192512e-14 1.057436569728e-14 ] [ -1.874546646336e-14 -7.850665441919999e-15 -1.313784829056e-14 ] [ -2.275090801536e-14 -3.620919163008e-14 -1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.214602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.277430299837692e-18 } }