{ "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" [ [ 2.273702 2.402034 1.908702 ] [ 1.908149 2.590409 4.360855 ] [ 2.360817 4.517724 2.766871 ] [ 3.26801 0.6931896 3.511788 ] [ 4.292326 2.985376 3.423625 ] [ 4.772846 4.542174 1.540942 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.273702e-10 2.402034e-10 1.908702e-10 ] [ 1.908149e-10 2.590409e-10 4.360855e-10 ] [ 2.360817e-10 4.517724e-10 2.766871e-10 ] [ 3.26801e-10 6.931896e-11 3.511788e-10 ] [ 4.292326e-10 2.985376e-10 3.423625e-10 ] [ 4.772846e-10 4.542174e-10 1.540942e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3195055 -1.2739594 -4.6245009 ] [ -2.9736222 -0.1840191 3.9435511 ] [ -0.8051397 3.0922039 -0.9302563 ] [ 0.8422432 -2.0473152 0.2263561 ] [ 5.5887417 1.0158037 0.4308918 ] [ -0.3327174 -0.6027139 0.9539583 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.716257483917015e-09 -2.041107966528396e-09 -7.409267224848559e-09 ] [ -4.764267967931862e-09 -2.948310998006573e-10 6.318265375350123e-09 ] [ -1.289976003817926e-09 4.954256795326581e-09 -1.490434895211911e-09 ] [ 1.349422364067779e-09 -3.280160548848476e-09 3.626624513954669e-10 ] [ 8.954151291430049e-09 1.627496939462137e-09 6.903647680544294e-10 ] [ -5.330720396133619e-10 -9.656541196111892e-10 1.528409685478113e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.847642 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.898201502400815e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0221569 2.0286108 1.4297137 ] [ 1.866781 3.0769755 4.5581841 ] [ 2.1178859 4.2648884 2.4288308 ] [ 3.1726136 1.310038 3.4713983 ] [ 5.2298918 2.4558918 3.1896125 ] [ 4.4665209 4.5945021 2.4350436 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0221569e-10 2.0286108e-10 1.4297137e-10 ] [ 1.866781e-10 3.0769755e-10 4.5581841e-10 ] [ 2.1178859e-10 4.2648884e-10 2.4288308e-10 ] [ 3.1726136e-10 1.310038e-10 3.4713983e-10 ] [ 5.2298918e-10 2.4558918e-10 3.1896125e-10 ] [ 4.4665209e-10 4.5945021e-10 2.4350436e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.06e-05 1.3e-05 6.13e-05 ] [ 2.5e-06 -3.9e-05 -6e-05 ] [ -3.37e-05 1.58e-05 1.37e-05 ] [ -2.14e-05 4.57e-05 1.6e-06 ] [ 1.99e-05 -2.17e-05 -5.2e-06 ] [ 2.2e-06 -1.38e-05 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.902660459647999e-14 2.08282960704e-14 9.821342685504e-14 ] [ 4.005441552e-15 -6.248488821120001e-14 -9.6130597248e-14 ] [ -5.399335212096e-14 2.531439060864e-14 2.194981970496e-14 ] [ -3.428657968511999e-14 7.321947157056e-14 2.56348259328e-15 ] [ 3.188331475392e-14 -3.476723267136e-14 -8.33131842816e-15 ] [ 3.52478856576e-15 -2.211003736704e-14 -1.84250311392e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }