{ "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" [ [ 2.194843 2.698336 1.615904 ] [ 2.342296 1.479956 3.870973 ] [ 2.299802 3.774539 3.510423 ] [ 4.310954 2.51113 2.445623 ] [ 3.93016 4.43603 0.8578151 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.194843e-10 2.698336e-10 1.615904e-10 ] [ 2.342296e-10 1.479956e-10 3.870973000000001e-10 ] [ 2.299802e-10 3.774539e-10 3.510423e-10 ] [ 4.310954e-10 2.51113e-10 2.445623e-10 ] [ 3.93016e-10 4.43603e-10 8.578151e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9771425 1.4064469 -6.2973854 ] [ -1.0987331 -6.1878263 6.3755781 ] [ -5.5492652 6.5917873 3.8604141 ] [ 8.8271877 -4.0367963 -2.0543743 ] [ 0.7979531 2.2263884 -1.8842325 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.769908149588345e-09 2.253376360141734e-09 -1.008952374317274e-08 ] [ -1.760364499822385e-09 -9.913990713110674e-09 1.021480226006212e-08 ] [ -8.890903039309337e-09 1.056120758835795e-08 6.185065268584139e-09 ] [ 1.41427138768722e-08 -6.467660708077653e-09 -3.291470500950106e-09 ] [ 1.278461811847865e-09 3.567067472688645e-09 -3.018873284523405e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6461087 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.046063432164116e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5382031 3.0355777 1.2279518 ] [ 3.0198328 1.8993196 4.5223452 ] [ 1.446269 3.5545235 3.371064 ] [ 4.0927345 1.4249435 2.2496587 ] [ 3.9810156 4.9856268 0.9297183 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5382031e-10 3.0355777e-10 1.2279518e-10 ] [ 3.0198328e-10 1.8993196e-10 4.5223452e-10 ] [ 1.446269e-10 3.5545235e-10 3.371064e-10 ] [ 4.0927345e-10 1.4249435e-10 2.2496587e-10 ] [ 3.9810156e-10 4.9856268e-10 9.297183e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.03e-05 -5.5e-06 -2.16e-05 ] [ -1.93e-05 -1.11e-05 5.5e-06 ] [ 8e-07 2.1e-06 3.37e-05 ] [ 1.3e-06 9.8e-06 0.0 ] [ -3.1e-06 4.6e-06 -1.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.252418567019999e-14 -8.811971486999999e-15 -3.46070152944e-14 ] [ -3.09220090362e-14 -1.77841606374e-14 8.811971486999999e-15 ] [ 1.2817413072e-15 3.364570931399999e-15 5.399335256579999e-14 ] [ 2.0828296242e-15 1.57013310132e-14 0.0 ] [ -4.9667475654e-15 7.370012516399999e-15 -2.83585264218e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.649402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.866439968447287e-18 } }