{ "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" [ [ 0.489786 0.6379758 2.385139 ] [ 2.264964 0.0865491 0.9234604 ] [ 2.944507 2.806058 0.1090737 ] [ 1.576252 2.005156 0.0788695 ] [ 2.792909 2.291732 2.895835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.89786e-11 6.379758e-11 2.385139e-10 ] [ 2.264964e-10 8.654910000000001e-12 9.234604e-11 ] [ 2.944507e-10 2.806058e-10 1.090737e-11 ] [ 1.576252e-10 2.005156e-10 7.88695e-12 ] [ 2.792909e-10 2.291732e-10 2.895835e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3983026 2.2923999 -0.4951491 ] [ 1.7038841 0.6399305 1.6104637 ] [ 26.5038331 13.9776266 3.4940299 ] [ -27.743456 -14.2662904 0.9146704 ] [ -2.8625638 -2.6436667 -5.5240148 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.842504355323854e-09 3.672829525304258e-09 -7.933163118301613e-10 ] [ 2.72992326957285e-09 1.025281686036854e-09 2.580247288787065e-09 ] [ 4.246382175440519e-08 2.23946265527922e-08 5.598053018156163e-09 ] [ -4.444991658339348e-08 -2.285711694442348e-08 1.465463530617784e-09 ] [ -4.586332795908408e-09 -4.235620979927487e-09 -8.850447365513188e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.509536 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.225073149855949e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.603555 0.6185775 2.3165766 ] [ 2.654154 0.2470472 0.9458298 ] [ 3.4238147 2.5124188 0.2403852 ] [ 0.9609855 2.1395254 0.3721243 ] [ 2.4259088 2.309902 2.5174617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.03555e-11 6.185775e-11 2.3165766e-10 ] [ 2.654154e-10 2.470472e-11 9.458298000000001e-11 ] [ 3.4238147e-10 2.5124188e-10 2.403852e-11 ] [ 9.609855000000001e-11 2.1395254e-10 3.721243e-11 ] [ 2.4259088e-10 2.309902e-10 2.5174617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.91e-05 -2.26e-05 -5.8e-06 ] [ 3.53e-05 -4.47e-05 7.6e-06 ] [ 1.42e-05 -1.6e-06 -2.85e-05 ] [ -4.28e-05 4.07e-05 -1.64e-05 ] [ 1.24e-05 2.82e-05 4.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.060157345728e-14 -3.620919163008e-14 -9.292624400640001e-15 ] [ 5.655683471424e-14 -7.161729494976001e-14 1.217654231808e-14 ] [ 2.275090801536e-14 -2.56348259328e-15 -4.56620336928e-14 ] [ -6.857315937023999e-14 6.520858846656e-14 -2.627569658112e-14 ] [ 1.986699009792e-14 4.518138070656001e-14 6.905381235648e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }