{ "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" [ [ 1.3916146 -1.738316 -0.5423091 ] [ -2.1553013 3.445536 -1.2001258 ] [ -2.4864969 -1.8933838 0.3232141 ] [ 1.1484482 -0.2139549 -0.4943708 ] [ 0.8601044 0.8427413 1.8296011 ] [ -1.4248322 -0.3639075 0.2836238 ] [ 2.6664633 -0.078715 -0.1996332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.229612377283944e-09 -2.785089254762573e-09 -8.688749612670893e-10 ] [ -3.453173353639847e-09 5.52035722532475e-09 -1.922813498778896e-09 ] [ -3.983807200871676e-09 -3.033535258561463e-09 5.178460745329134e-10 ] [ 1.840016856239843e-09 -3.427935386856019e-10 -7.920693377661926e-10 ] [ 1.378039161127212e-09 1.350220408242599e-09 2.931344107809963e-09 ] [ -2.28283283940303e-09 -5.83044088633776e-10 4.544154214624551e-10 ] [ 4.272145159481217e-09 -1.26115332706272e-10 -3.198476457754906e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.208111 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.718349285713131e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8463053 2.1185004 3.8904368 ] [ 1.6992406 5.3899845 2.2272457 ] [ 1.0489957 3.0931397 2.673954 ] [ 2.5842764 3.5810214 0.8699749 ] [ 2.5329121 4.4407876 4.3013379 ] [ 4.3346908 2.5914915 2.1415615 ] [ 4.0682166 4.928678 2.4973792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8463053e-10 2.1185004e-10 3.8904368e-10 ] [ 1.6992406e-10 5.3899845e-10 2.2272457e-10 ] [ 1.0489957e-10 3.0931397e-10 2.673954e-10 ] [ 2.5842764e-10 3.5810214e-10 8.699749000000001e-11 ] [ 2.5329121e-10 4.4407876e-10 4.3013379e-10 ] [ 4.3346908e-10 2.5914915e-10 2.1415615e-10 ] [ 4.068216600000001e-10 4.928678e-10 2.4973792e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-07 -9.3e-06 4.9e-06 ] [ -8.9e-06 -9.6e-06 1.4e-06 ] [ -3e-06 1.09e-05 -9.2e-06 ] [ -3.7e-06 5.4e-06 -4.8e-06 ] [ 1.19e-05 6.7e-06 1.5e-06 ] [ 1e-05 -1.05e-05 4.7e-06 ] [ -5.4e-06 6.2e-06 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.44195895872e-15 -1.490024257344e-14 7.850665441919999e-15 ] [ -1.425937192512e-14 -1.538089555968e-14 2.24304726912e-15 ] [ -4.8065298624e-15 1.746372516672e-14 -1.474002491136e-14 ] [ -5.928053496960001e-15 8.65175375232e-15 -7.69044777984e-15 ] [ 1.906590178752e-14 1.073458335936e-14 2.4032649312e-15 ] [ 1.6021766208e-14 -1.68228545184e-14 7.53023011776e-15 ] [ -8.65175375232e-15 9.93349504896e-15 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.628085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.945854200207517e-18 } }