{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6239032 1.0229206 1.6253458 ] [ 1.0395101 -1.4394128 -0.0981115 ] [ -3.7185089 0.2403163 1.4217848 ] [ -3.9870328 2.7731456 -1.8828625 ] [ 1.0265091 -2.0309726 0.8833181 ] [ 2.3355315 -3.6251404 -5.3565683 ] [ 2.6800878 3.0591433 3.4070936 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.996031206823065e-10 1.638899470254708e-09 2.604091041475473e-09 ] [ 1.66547877930547e-09 -2.306193535840266e-09 -1.571919515316192e-10 ] [ -5.957708023816725e-09 3.850291574571591e-10 2.277950366368804e-09 ] [ -6.387930738522763e-09 4.443069046394389e-09 -3.01667827768104e-09 ] [ 1.644648881058449e-09 -3.25397681720539e-09 1.415231608549476e-09 ] [ 3.741933966441955e-09 -5.808115195997559e-09 -8.582168497978401e-09 ] [ 4.293974014851306e-09 4.901287874936961e-09 5.458765710797308e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.81844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.457005419512755e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3985911 3.0281725 1.4797874 ] [ 2.345968 1.3403587 2.7786955 ] [ 0.8971437 2.9952026 3.8942317 ] [ 1.9358996 4.9583704 2.6296364 ] [ 3.3210353 2.4907238 4.5286792 ] [ 3.822302 3.1356596 1.9432151 ] [ 4.0296482 4.6220253 3.7233481 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3985911e-10 3.0281725e-10 1.4797874e-10 ] [ 2.345968e-10 1.3403587e-10 2.7786955e-10 ] [ 8.971437000000001e-11 2.9952026e-10 3.8942317e-10 ] [ 1.9358996e-10 4.9583704e-10 2.6296364e-10 ] [ 3.3210353e-10 2.4907238e-10 4.5286792e-10 ] [ 3.822302e-10 3.1356596e-10 1.9432151e-10 ] [ 4.0296482e-10 4.6220253e-10 3.7233481e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.9e-06 1.09e-05 -1.3e-06 ] [ 3.12e-05 -2.91e-05 2.15e-05 ] [ -9.59e-05 -6.7e-06 3.3e-05 ] [ -1.24e-05 3.35e-05 -7e-06 ] [ -4.5e-06 -2.08e-05 2.62e-05 ] [ 5.39e-05 -1.37e-05 -0.0001031 ] [ 3.37e-05 2.58e-05 3.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.45284206272e-15 1.746372516672e-14 -2.08282960704e-15 ] [ 4.998791056896e-14 -4.662333966527999e-14 3.44467973472e-14 ] [ -1.5364873793472e-13 -1.073458335936e-14 5.28718284864e-14 ] [ -1.986699009792e-14 5.36729167968e-14 -1.12152363456e-14 ] [ -7.2097947936e-15 -3.332527371264e-14 4.197702746496e-14 ] [ 8.635731986112e-14 -2.194981970496e-14 -1.6518440960448e-13 ] [ 5.399335212096e-14 4.133615681664e-14 4.934703992064001e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }