{ "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" [ [ 1.875325 2.956791 1.293332 ] [ 2.112421 5.47429 1.464888 ] [ 2.056962 4.106673 3.914817 ] [ 3.228113 2.011758 3.122182 ] [ 3.602336 4.040974 2.324239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.875325e-10 2.956791e-10 1.293332e-10 ] [ 2.112421e-10 5.47429e-10 1.464888e-10 ] [ 2.056962e-10 4.106673e-10 3.914817000000001e-10 ] [ 3.228113e-10 2.011758e-10 3.122182e-10 ] [ 3.602336e-10 4.040974e-10 2.324239e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2591666 -2.7703412 -4.5511229 ] [ -2.1740535 2.1481013 -0.6117326 ] [ -2.9802272 2.1145063 4.8747443 ] [ 0.0067841 -5.0548594 1.9898922 ] [ 8.4066633 3.562593 -1.7017811 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.221760529812226e-09 -4.438575902279017e-09 -7.291702708767497e-09 ] [ -3.483217690068413e-09 3.441637681970087e-09 -9.80103669901198e-10 ] [ -4.774850344512246e-09 3.387812558394311e-09 7.81020134983806e-09 ] [ 1.086932641316928e-11 -8.098777552111115e-09 3.188158760752278e-09 ] [ 1.346895939819738e-08 5.707903214025735e-09 -2.726553892139307e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2494581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.161491228128919e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1471332 2.8632871 0.8617896 ] [ 1.6758247 5.1753606 1.7744221 ] [ 2.2538649 4.3738621 4.1034105 ] [ 2.7251963 2.0617939 3.1907746 ] [ 4.0731379 4.1161823 2.1890612 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1471332e-10 2.8632871e-10 8.617896000000001e-11 ] [ 1.6758247e-10 5.175360600000001e-10 1.7744221e-10 ] [ 2.2538649e-10 4.3738621e-10 4.1034105e-10 ] [ 2.7251963e-10 2.0617939e-10 3.1907746e-10 ] [ 4.0731379e-10 4.1161823e-10 2.1890612e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 -4.4e-06 -5.5e-06 ] [ -1.6e-06 -5.9e-06 4.8e-06 ] [ 2e-06 4.4e-06 6.7e-06 ] [ -7.9e-06 3.6e-06 -3.2e-06 ] [ 3.4e-06 2.4e-06 -2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924145279999e-15 -7.04957713152e-15 -8.8119714144e-15 ] [ -2.56348259328e-15 -9.45284206272e-15 7.69044777984e-15 ] [ 3.2043532416e-15 7.04957713152e-15 1.073458335936e-14 ] [ -1.265719530432e-14 5.76783583488e-15 -5.126965186560001e-15 ] [ 5.44740051072e-15 3.84522388992e-15 -4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.344147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657315048551846e-18 } }