{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.9882505 6.427887 0.6261165 ] [ 2.2869341 -0.6838338 -1.4889463 ] [ -3.5204279 -6.0082889 0.2241951 ] [ 0.7713769 -1.076222 0.9325679 ] [ 2.5500601 1.2887951 -6.4315664 ] [ 6.3331584 2.9604702 0.2291636 ] [ -1.4328511 -2.9088075 5.9084698 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.119641166363882e-08 1.029861035739236e-08 1.003149226461861e-09 ] [ 3.664072378517819e-09 -1.095622535899429e-09 -2.385554971140754e-09 ] [ -5.640347323061688e-09 -9.62634008590156e-09 3.592001506772934e-10 ] [ 1.235882045187355e-09 -1.724297741396748e-09 1.494138498998449e-09 ] [ 4.085646707515703e-09 2.064877395233693e-09 -1.03045054060995e-08 ] [ 1.014683840790083e-08 4.743196180093307e-09 3.671605652833224e-10 ] [ -2.295680552421197e-09 -4.660423409303955e-09 9.466412256254652e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.718776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.037772572027998e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6328793 5.4327189 2.9253259 ] [ 6.0296538 2.8818598 1.0876157 ] [ 2.9115077 2.8535963 2.5175813 ] [ 5.3914151 2.6322926 3.3896188 ] [ 4.2987442 4.5464851 1.0448016 ] [ 5.2071919 5.2637834 3.4153636 ] [ 3.537148 3.8485738 4.8658481 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6328793e-10 5.432718900000001e-10 2.9253259e-10 ] [ 6.0296538e-10 2.8818598e-10 1.0876157e-10 ] [ 2.9115077e-10 2.8535963e-10 2.5175813e-10 ] [ 5.3914151e-10 2.6322926e-10 3.3896188e-10 ] [ 4.2987442e-10 4.5464851e-10 1.0448016e-10 ] [ 5.207191899999999e-10 5.2637834e-10 3.4153636e-10 ] [ 3.537148e-10 3.8485738e-10 4.8658481e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.12e-05 8.8e-06 2.3e-06 ] [ -1.53e-05 1.19e-05 4.2e-06 ] [ 2.23e-05 6.8e-06 -1.09e-05 ] [ -8.7e-06 6e-07 -8.1e-06 ] [ 1.01e-05 -2.46e-05 1.23e-05 ] [ -3e-07 -4.5e-06 -4.8e-06 ] [ 3.1e-06 1.2e-06 5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.79443783008e-14 1.40991543792e-14 3.685006258199999e-15 ] [ -2.45133025002e-14 1.90659019446e-14 6.729141862799999e-15 ] [ 3.572853893819999e-14 1.08948011112e-14 -1.74637253106e-14 ] [ -1.39389367158e-14 9.613059803999998e-16 -1.29776307354e-14 ] [ 1.61819840034e-14 -3.94135451964e-14 1.97067725982e-14 ] [ -4.806529901999999e-16 -7.209794853e-15 -7.690447843199998e-15 ] [ 4.9667475654e-15 1.9226119608e-15 8.010883169999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.536285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.649404944016469e-18 } }