{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5489848 -1.476374 -5.8756296 ] [ -3.812763 -2.2712088 -0.5975832 ] [ 2.8515628 0.2390029 5.1827805 ] [ -3.6098859 3.8934446 1.1610606 ] [ 2.7724176 -0.7323142 -1.1291605 ] [ 1.3897985 -5.5384796 3.0326508 ] [ 1.9578549 5.8859291 -1.7741187 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.481747232534564e-09 -2.36541190635698e-09 -9.413796377600456e-09 ] [ -6.10871973925127e-09 -3.638877640315224e-09 -9.574338320228505e-10 ] [ 4.568707250902986e-09 3.829248586834003e-10 8.303729747838134e-09 ] [ -5.783674792735567e-09 6.237985912500007e-09 1.860224148652021e-09 ] [ 4.441902661814446e-09 -1.173296690319855e-09 -1.809114554230838e-09 ] [ 2.226702664322909e-09 -8.873622529897735e-09 4.858842210810417e-09 ] [ 3.136829347698722e-09 9.430297995706386e-09 -2.842451503664089e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.786058 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.368987644139281e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.841688 2.8792223 0.9817969 ] [ 1.4136886 2.1286462 2.8448092 ] [ 3.4893602 3.2921268 5.3329302 ] [ 1.7583369 4.3043371 3.9497778 ] [ 4.714714 1.6802135 1.9759174 ] [ 3.4140847 1.2596366 3.9922489 ] [ 2.8419406 5.1240066 1.9278797 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.841688e-10 2.8792223e-10 9.817969e-11 ] [ 1.4136886e-10 2.1286462e-10 2.8448092e-10 ] [ 3.4893602e-10 3.2921268e-10 5.3329302e-10 ] [ 1.7583369e-10 4.3043371e-10 3.9497778e-10 ] [ 4.714714e-10 1.6802135e-10 1.9759174e-10 ] [ 3.4140847e-10 1.2596366e-10 3.9922489e-10 ] [ 2.8419406e-10 5.124006600000001e-10 1.9278797e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.43e-05 1.85e-05 -1.9e-06 ] [ -1e-06 -1.9e-06 7.4e-06 ] [ -5.6e-06 6.6e-06 1.66e-05 ] [ 5.9e-06 1.84e-05 -4.7e-06 ] [ 6.2e-06 -1.18e-05 -1.43e-05 ] [ -3e-07 -1.48e-05 -1.1e-06 ] [ -1.93e-05 -1.5e-05 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.291112567744e-14 2.96402674848e-14 -3.04413557952e-15 ] [ -1.6021766208e-15 -3.04413557952e-15 1.185610699392e-14 ] [ -8.972189076479999e-15 1.057436569728e-14 2.659613190528e-14 ] [ 9.45284206272e-15 2.948004982272e-14 -7.53023011776e-15 ] [ 9.93349504896e-15 -1.890568412544e-14 -2.291112567744e-14 ] [ -4.8065298624e-16 -2.371221398784e-14 -1.76239428288e-15 ] [ -3.092200878144e-14 -2.4032649312e-14 -3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.146068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.387973577144701e-18 } }