{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3702269 0.5592963 -0.2842411 ] [ 0.3576304 0.2458689 0.2862486 ] [ -1.889229 -0.6488006 1.0070046 ] [ -1.0536658 -1.9976997 -0.2134903 ] [ -0.0808783 0.3059157 -0.1455825 ] [ 2.4451645 1.3289132 -1.0074248 ] [ 0.5912051 0.2065062 0.3574855 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.931688835712596e-10 8.960914559599429e-10 -4.554044450904749e-10 ] [ 5.729870657673524e-10 3.939254033618131e-10 4.586208146567309e-10 ] [ -3.026878535137363e-09 -1.039493152881012e-09 1.613399227158056e-09 ] [ -1.688158710896529e-09 -3.200667754719174e-09 -3.420491674275783e-10 ] [ -1.295813213900487e-10 4.901309824756666e-10 -2.33248877897616e-10 ] [ 3.917585395910121e-09 2.129153660112514e-09 -1.614072461774116e-09 ] [ 9.472149893177261e-10 3.30859405690249e-10 5.727549103749985e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.386088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.105993696237144e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3567723 1.1923286 3.5854143 ] [ 1.5349129 3.2297027 4.5026384 ] [ 1.8973609 4.2414547 2.3921177 ] [ 3.2239925 2.3631318 1.7235697 ] [ 3.7628686 2.4416132 5.0448003 ] [ 4.0136721 5.2084202 2.6143187 ] [ 4.9849057 3.1493235 3.1434629 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3567723e-10 1.1923286e-10 3.5854143e-10 ] [ 1.5349129e-10 3.2297027e-10 4.5026384e-10 ] [ 1.8973609e-10 4.241454700000001e-10 2.3921177e-10 ] [ 3.2239925e-10 2.3631318e-10 1.7235697e-10 ] [ 3.7628686e-10 2.4416132e-10 5.0448003e-10 ] [ 4.0136721e-10 5.2084202e-10 2.6143187e-10 ] [ 4.9849057e-10 3.1493235e-10 3.1434629e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 -5e-06 -5.9e-06 ] [ 8.1e-06 -8.8e-06 -2.16e-05 ] [ -9.7e-06 -1.4e-06 -3.8e-06 ] [ -1.08e-05 -1.8e-06 2.79e-05 ] [ 1.25e-05 1.14e-05 -3.8e-06 ] [ 6.7e-06 3.03e-05 4.3e-06 ] [ -4.5e-06 -2.47e-05 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 -8.010883104e-15 -9.45284206272e-15 ] [ 1.297763062848e-14 -1.409915426304e-14 -3.460701500928e-14 ] [ -1.554111322176e-14 -2.24304726912e-15 -6.08827115904e-15 ] [ -1.730350750464e-14 -2.88391791744e-15 4.470072772032e-14 ] [ 2.002720776e-14 1.826481347712e-14 -6.08827115904e-15 ] [ 1.073458335936e-14 4.854595161024e-14 6.889359469440001e-15 ] [ -7.2097947936e-15 -3.957376253376001e-14 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.126865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.384896917379779e-18 } }