{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9344913 4.8328645 2.061817 ] [ 6.7841992 -3.6409914 -4.0784169 ] [ -0.657652 -1.3838085 -0.2631848 ] [ -4.4878582 -7.403759 2.8915593 ] [ 5.6696922 -0.8618492 4.9213201 ] [ 3.2070087 6.2981135 -0.8280151 ] [ -4.5808985 2.15943 -4.7050797 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.508103217200999e-09 7.743102513394282e-09 3.303394993767994e-09 ] [ 1.086948534909006e-08 -5.833511297613861e-09 -6.534344207055611e-09 ] [ -1.053674659022362e-09 -2.217105626364317e-09 -4.216685335099238e-10 ] [ -7.19034148550557e-09 -1.186212957583759e-08 4.632788708116814e-09 ] [ 9.08384828997212e-09 -1.380834638895183e-09 7.884824007693118e-09 ] [ 5.138194361842201e-09 1.009069020484486e-08 -1.326626434889374e-09 ] [ -7.339408478957788e-09 3.459788260254144e-09 -7.538368694340678e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.01266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.924640300561933e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4629759 3.9248679 2.9644836 ] [ 5.8755591 2.1515399 1.2442184 ] [ 3.6387946 1.3128145 1.053716 ] [ 3.2397021 1.7027846 3.4138429 ] [ 5.4606938 2.557 3.6973828 ] [ 4.8637143 4.4940345 1.9813285 ] [ 2.8779651 3.519579 0.5113148 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4629759e-10 3.9248679e-10 2.9644836e-10 ] [ 5.875559100000001e-10 2.1515399e-10 1.2442184e-10 ] [ 3.6387946e-10 1.3128145e-10 1.053716e-10 ] [ 3.2397021e-10 1.7027846e-10 3.4138429e-10 ] [ 5.4606938e-10 2.557e-10 3.6973828e-10 ] [ 4.8637143e-10 4.4940345e-10 1.9813285e-10 ] [ 2.8779651e-10 3.519579e-10 5.113148e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.5e-05 8e-07 -1.32e-05 ] [ -9e-06 2.43e-05 2.79e-05 ] [ 3.1e-06 2.2e-06 -1.5e-06 ] [ 1.9e-06 6.6e-06 -4.3e-06 ] [ 4.6e-06 -2.28e-05 -3e-06 ] [ -7.4e-06 -1.06e-05 -1.89e-05 ] [ -8.2e-06 -5e-07 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.4032649312e-14 1.28174129664e-15 -2.114873139456e-14 ] [ -1.44195895872e-14 3.893289188544e-14 4.470072772032e-14 ] [ 4.96674752448e-15 3.52478856576e-15 -2.4032649312e-15 ] [ 3.04413557952e-15 1.057436569728e-14 -6.889359469440001e-15 ] [ 7.370012455680001e-15 -3.652962695424e-14 -4.8065298624e-15 ] [ -1.185610699392e-14 -1.698307218048e-14 -3.028113813312e-14 ] [ -1.313784829056e-14 -8.010883104e-16 2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.765666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846373471814145e-18 } }