{ "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" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -54.522122 -8.3946746 -5.8689799 ] [ -10.241566 2.4211821 23.1471224 ] [ 4.950592 -47.0605204 -72.6428094 ] [ 50.1957409 34.9187179 35.8666869 ] [ 7.762241 -8.7645003 25.7951817 ] [ 1.8551141 26.8797953 -6.2972017 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.735406918480535e-08 -1.344975138334359e-08 -9.403142383725123e-09 ] [ -1.640879760558017e-08 3.879161355319448e-09 3.708577834807599e-08 ] [ 7.931722761519515e-09 -7.539926554756148e-08 -1.163866108899105e-07 ] [ 8.042244253371434e-08 5.594595344769047e-08 5.746476721673362e-08 ] [ 1.243648105521521e-08 -1.404227747365459e-08 4.1328437049028e-08 ] [ 2.972220439936433e-09 4.306617960154973e-08 -1.008922934020202e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 38.766248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.211037622173476e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3337342 0.8034291 0.5458209 ] [ 0.692141 1.1402626 2.8983804 ] [ 2.2324741 -0.6186003 0.460156 ] [ 3.6216661 1.1906913 1.2171585 ] [ 2.5908818 -0.2817657 2.8127142 ] [ 1.7229267 2.6127208 1.3028251 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.337342e-11 8.034291e-11 5.458209e-11 ] [ 6.92141e-11 1.1402626e-10 2.8983804e-10 ] [ 2.2324741e-10 -6.186003e-11 4.60156e-11 ] [ 3.6216661e-10 1.1906913e-10 1.2171585e-10 ] [ 2.5908818e-10 -2.817657e-11 2.8127142e-10 ] [ 1.7229267e-10 2.6127208e-10 1.3028251e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-07 9e-07 2.5e-06 ] [ 1.2e-06 1.4e-06 -2.2e-06 ] [ -1.4e-06 -3.9e-06 -5.5e-06 ] [ 6.2e-06 3.7e-06 -4e-07 ] [ -2.1e-06 -1.9e-06 5.3e-06 ] [ -3.5e-06 -2e-07 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-16 1.44195895872e-15 4.005441552e-15 ] [ 1.92261194496e-15 2.24304726912e-15 -3.52478856576e-15 ] [ -2.24304726912e-15 -6.24848882112e-15 -8.8119714144e-15 ] [ 9.93349504896e-15 5.928053496960001e-15 -6.408706483200001e-16 ] [ -3.36457090368e-15 -3.04413557952e-15 8.491536090240001e-15 ] [ -5.6076181728e-15 -3.2043532416e-16 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }