{ "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" [ [ 2.302316 2.639916 2.839286 ] [ 2.238062 3.048613 5.055223 ] [ 2.960065 4.797857 2.877262 ] [ 0.8426098 4.264099 3.709155 ] [ 4.78415 2.692863 2.00084 ] [ 4.277135 2.539995 4.347514 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.302316e-10 2.639916e-10 2.839286e-10 ] [ 2.238062e-10 3.048613e-10 5.055223e-10 ] [ 2.960065e-10 4.797856999999999e-10 2.877262e-10 ] [ 8.426098e-11 4.264099e-10 3.709155e-10 ] [ 4.78415e-10 2.692863e-10 2.00084e-10 ] [ 4.277135e-10 2.539995e-10 4.347514000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3928454 -4.474373 -7.3131256 ] [ 0.0205178 0.4750951 4.2582608 ] [ -0.6497914 -0.4153165 -0.3227236 ] [ -3.3912013 4.471505 2.4261445 ] [ -2.1526603 -0.6910469 10.2906208 ] [ 2.7802898 0.6341363 -9.3391768 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.435937577868825e-09 -7.168735813338759e-09 -1.171691886129397e-08 ] [ 3.287313947025024e-11 7.611862618766381e-10 6.822485899029106e-09 ] [ -1.041080589476901e-09 -6.654103865324832e-10 -5.170602069004109e-10 ] [ -5.433303439286567e-09 7.164140770790304e-09 3.887111996582505e-09 ] [ -3.448942005184314e-09 -1.107179187056315e-09 1.648739205927819e-08 ] [ 4.454515316608707e-09 1.015998354260615e-09 -1.496301072647776e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2447644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.160739214488414e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.193625 3.2274037 1.4092051 ] [ 2.4241505 3.1878419 5.4895425 ] [ 1.6798825 4.5549614 2.293637 ] [ 1.0946268 4.5910571 4.4230424 ] [ 4.7404988 2.1261639 2.5333875 ] [ 4.2715542 2.2959151 4.6804654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.193625e-10 3.2274037e-10 1.4092051e-10 ] [ 2.4241505e-10 3.1878419e-10 5.4895425e-10 ] [ 1.6798825e-10 4.5549614e-10 2.293637e-10 ] [ 1.0946268e-10 4.5910571e-10 4.4230424e-10 ] [ 4.7404988e-10 2.1261639e-10 2.5333875e-10 ] [ 4.2715542e-10 2.2959151e-10 4.6804654e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5740872 -0.2606779 -0.38759 ] [ 0.0771129 0.2062194 0.1177541 ] [ -0.6728519 0.3795541 0.3888665 ] [ 0.3402286 -0.2912936 -0.3080341 ] [ -0.1808266 0.1137423 -0.1705813 ] [ -0.1377503 -0.1475443 0.3595847 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.197890901405338e-10 -4.176520369392404e-10 -6.20987636455872e-10 ] [ 1.235484855420883e-10 3.303999014354036e-10 1.886628660233453e-10 ] [ -1.078027583440859e-09 6.081127053487853e-10 6.230328149123233e-10 ] [ 5.451063086475148e-10 -4.667037957086668e-10 -4.935250334291692e-10 ] [ -2.897161509387533e-10 1.822352538560199e-10 -2.733013708056711e-10 ] [ -2.207003101681862e-10 -2.363920279923014e-10 5.761181995373817e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.778204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.367729294621304e-18 } }