{ "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" [ [ 5.4816527 -25.201003 0.9325878 ] [ -33.0133943 42.1820644 -8.2882231 ] [ -28.1345703 -24.8136405 3.0363067 ] [ 4.7906198 -2.0906253 -14.7408362 ] [ 7.218016 13.9887393 22.683776 ] [ 4.2430931 -9.6573457 1.9659909 ] [ 39.414583 5.5918108 -5.5896021 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.78257587164301e-09 -4.03764581599639e-08 1.494170382313465e-09 ] [ -5.289328895648878e-08 6.758311795556322e-08 -1.327919738819904e-08 ] [ -4.507655114229036e-08 -3.975583501357607e-08 4.864699648397647e-09 ] [ 7.675419105937753e-09 -3.34955100610924e-09 -2.361742332526135e-08 ] [ 1.156453657903814e-08 2.241243124557751e-08 3.634341587808999e-08 ] [ 6.798184620706625e-09 -1.547277362700037e-08 3.14986468263663e-09 ] [ 6.314912392145362e-08 8.959068605508846e-09 -8.95552987797733e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.7341752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.584984886702276e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6272008 2.2906217 3.5964624 ] [ 1.5102175 5.345769 2.462816 ] [ 0.3810563 2.9648316 2.4310649 ] [ 2.6099102 3.3072016 0.9479659 ] [ 2.9112007 4.6510447 4.5954373 ] [ 4.8491327 2.5129945 2.2284662 ] [ 4.2259194 5.0711399 2.3396774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6272008e-10 2.2906217e-10 3.5964624e-10 ] [ 1.5102175e-10 5.345769e-10 2.462816e-10 ] [ 3.810563e-11 2.9648316e-10 2.4310649e-10 ] [ 2.6099102e-10 3.3072016e-10 9.479659000000001e-11 ] [ 2.9112007e-10 4.6510447e-10 4.595437300000001e-10 ] [ 4.8491327e-10 2.5129945e-10 2.2284662e-10 ] [ 4.2259194e-10 5.0711399e-10 2.3396774e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.31e-05 8.3e-06 4.8e-06 ] [ 1.96e-05 -2.88e-05 1.24e-05 ] [ 9.85e-05 1e-05 -8e-06 ] [ -5.19e-05 -4.4e-06 2.07e-05 ] [ -3.35e-05 -3.7e-06 1.46e-05 ] [ 1.6e-05 -1.3e-06 -1.61e-05 ] [ 1.44e-05 2e-05 -2.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.010973456054e-13 1.32980660622e-14 7.690447843199998e-15 ] [ 3.140266202639999e-14 -4.614268705919999e-14 1.98669902616e-14 ] [ 1.57814398449e-13 1.602176634e-14 -1.2817413072e-14 ] [ -8.315296730459999e-14 -7.0495771896e-15 3.316505632379999e-14 ] [ -5.367291723899999e-14 -5.9280535458e-15 2.33917788564e-14 ] [ 2.5634826144e-14 -2.0828296242e-15 -2.579504380739999e-14 ] [ 2.30713435296e-14 3.204353268e-14 -4.53415987422e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.766486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.968028517548812e-18 } }