{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0204002 -0.0768058 -8.8350885 ] [ -4.5175936 -6.0195647 8.592165 ] [ 10.3552647 -4.7375069 1.5763061 ] [ 3.2537562 3.792223 -6.7995931 ] [ -0.071027 7.0416545 5.4662105 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.445227431069964e-08 -1.230564571018406e-10 -1.415537223739894e-08 ] [ -7.237982848195706e-09 -9.644405829732966e-09 1.376616588505603e-08 ] [ 1.659096300453552e-08 -7.590322796058684e-09 2.525520780644427e-09 ] [ 5.213092113423049e-09 6.075811031460039e-09 -1.0894149095773e-08 ] [ -1.137977988455616e-10 1.128197421165111e-08 8.75783466747148e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.0444593 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.275584892637134e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5492068 1.0277223 0.5061982 ] [ 1.2639751 -0.2415307 2.3671495 ] [ 3.0633557 0.9038679 3.3846529 ] [ 1.9066854 2.9576817 0.3737193 ] [ 3.4598862 2.8816141 2.1532707 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.492068e-11 1.0277223e-10 5.061982000000001e-11 ] [ 1.2639751e-10 -2.415307e-11 2.3671495e-10 ] [ 3.0633557e-10 9.038678999999999e-11 3.3846529e-10 ] [ 1.9066854e-10 2.9576817e-10 3.737193e-11 ] [ 3.4598862e-10 2.8816141e-10 2.1532707e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.04e-05 6.3e-06 6.7e-06 ] [ -1.5e-06 -4.3e-06 -2.44e-05 ] [ -1.21e-05 6.4e-06 3.45e-05 ] [ -3.35e-05 4e-07 6.1e-06 ] [ 2.66e-05 -8.7e-06 -2.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.268440306432e-14 1.009371271104e-14 1.073458335936e-14 ] [ -2.4032649312e-15 -6.889359469440001e-15 -3.909310954752e-14 ] [ -1.938633711168e-14 1.025393037312e-14 5.52750934176e-14 ] [ -5.36729167968e-14 6.408706483200001e-16 9.77327738688e-15 ] [ 4.261789811328e-14 -1.393893660096e-14 -3.68500622784e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }