{ "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" [ [ 0.1779892 2.357943 0.2667025 ] [ 0.683577 1.802827 2.30843 ] [ 1.994264 0.9284256 0.4445094 ] [ 2.959137 1.015728 2.327469 ] [ 2.670153 2.85418 1.122954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.779892e-11 2.357943e-10 2.667025e-11 ] [ 6.83577e-11 1.802827e-10 2.30843e-10 ] [ 1.994264e-10 9.284256e-11 4.445094e-11 ] [ 2.959137e-10 1.015728e-10 2.327469e-10 ] [ 2.670153e-10 2.85418e-10 1.122954e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1125678 -6.6541179 -37.857185 ] [ -30.3467758 37.8937482 114.3860437 ] [ -14.7251013 -95.9977731 -178.995 ] [ 34.5140159 -34.3636202 91.8539251 ] [ 9.4452935 99.121763 10.6122163 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.782530132900785e-09 -1.066107221926115e-08 -6.065389723601528e-08 ] [ -4.862089510399665e-08 6.071247794071955e-08 1.832666464718429e-07 ] [ -2.359221323614302e-08 -1.538053889768537e-07 -2.867816066028299e-07 ] [ 5.529754982048447e-08 -5.505658934409041e-08 1.471662125364061e-07 ] [ 1.513302854697208e-08 1.588105725994857e-07 1.700264499081393e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 75.911383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.216234440972248e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.2863051 2.5790326 0.1164008 ] [ 0.3004066 1.6528563 2.8741392 ] [ 1.9274058 0.1832381 -0.0572513 ] [ 3.1077005 1.0046079 2.471671 ] [ 2.8633022 3.5393687 1.0651053 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.863051e-11 2.5790326e-10 1.164008e-11 ] [ 3.004066000000001e-11 1.6528563e-10 2.8741392e-10 ] [ 1.9274058e-10 1.832381e-11 -5.72513e-12 ] [ 3.1077005e-10 1.0046079e-10 2.471671e-10 ] [ 2.8633022e-10 3.5393687e-10 1.0651053e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.25e-05 3.1e-06 -1.56e-05 ] [ -1.85e-05 4.8e-06 2e-06 ] [ -2.39e-05 -1.17e-05 1.59e-05 ] [ 3.93e-05 -2.5e-05 -1.02e-05 ] [ -2.93e-05 2.88e-05 7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.207074060499999e-14 4.9667475654e-15 -2.49939554904e-14 ] [ -2.9640267729e-14 7.690447843199998e-15 3.204353268e-15 ] [ -3.82920215526e-14 -1.87454666178e-14 2.54746084806e-14 ] [ 6.29655417162e-14 -4.005441585e-14 -1.63422016668e-14 ] [ -4.69437753762e-14 4.614268705919999e-14 1.26571954086e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.147671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.946271463371942e-18 } }