{ "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" [ [ -3.6697977 3.1978268 -5.4275941 ] [ -2.6822051 -0.5904907 7.3799674 ] [ -2.0741691 -9.2356005 -9.9793563 ] [ 5.678573 -4.3261805 8.9942375 ] [ 2.7475989 10.9544448 -0.9672545 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.879664078005612e-09 5.123483336327678e-09 -8.695964374212018e-09 ] [ -4.297366303410526e-09 -9.460703943398266e-10 1.182401123054616e-08 ] [ -3.323185239605778e-09 -1.479706320014879e-08 -1.598869135449319e-08 ] [ 9.098076900106119e-09 -6.931305254460855e-09 1.441035704442264e-08 ] [ 4.402138720915798e-09 1.755095535240413e-08 -1.549712546263594e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.557412 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.301778957753371e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2101023 2.1689091 0.2830992 ] [ 0.6899727 2.1942112 2.776944 ] [ 2.2795249 0.7475199 -0.1007223 ] [ 2.7593663 0.7727791 2.3931313 ] [ 2.5461539 3.0756843 1.1176127 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.101023e-11 2.1689091e-10 2.830992e-11 ] [ 6.899727000000001e-11 2.1942112e-10 2.776944e-10 ] [ 2.2795249e-10 7.475199e-11 -1.007223e-11 ] [ 2.7593663e-10 7.727791000000001e-11 2.3931313e-10 ] [ 2.5461539e-10 3.0756843e-10 1.1176127e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.4e-06 1.98e-05 -1.06e-05 ] [ -8.8e-06 -5.1e-06 -2.2e-06 ] [ -2.7e-06 -7.8e-06 1.78e-05 ] [ 2.38e-05 -6.2e-06 -2.7e-06 ] [ -7e-06 -6e-07 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.65175375232e-15 3.172309709184e-14 -1.698307218048e-14 ] [ -1.409915426304e-14 -8.17110076608e-15 -3.52478856576e-15 ] [ -4.32587687616e-15 -1.249697764224e-14 2.851874385024e-14 ] [ 3.813180357504e-14 -9.93349504896e-15 -4.32587687616e-15 ] [ -1.12152363456e-14 -9.6130597248e-16 -3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.338031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.656335157330565e-18 } }