{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.700341 1.969723 2.203994 ] [ 1.820171 2.226461 4.644887 ] [ 1.683397 4.142957 3.874532 ] [ 4.686676 2.237231 1.35428 ] [ 4.257123 2.593073 3.820407 ] [ 3.357584 4.187851 2.029918 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700341e-10 1.969723e-10 2.203994e-10 ] [ 1.820171e-10 2.226461e-10 4.644887e-10 ] [ 1.683397e-10 4.142957e-10 3.874532e-10 ] [ 4.686676000000001e-10 2.237231e-10 1.35428e-10 ] [ 4.257123e-10 2.593073e-10 3.820407e-10 ] [ 3.357584e-10 4.187851e-10 2.029918e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -126.720324 -53.5088635 -1.8955839 ] [ 24.0004147 -90.814776 22.4758915 ] [ -2.2077165 103.9054257 -47.2186773 ] [ 80.4851496 5.1330776 11.9520431 ] [ 50.1842661 -11.7562775 11.6450175 ] [ -25.7417899 47.0414136 3.0413092 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.030283404930012e-07 -8.573065010527846e-08 -3.037060207344885e-09 ] [ 3.845290332184465e-08 -1.455013109303889e-07 3.601034789293745e-08 ] [ -3.537151761654403e-09 1.664748438308115e-07 -7.565266083515968e-08 ] [ 1.289514250107105e-07 8.224096923472176e-09 1.914928402561395e-08 ] [ 8.0404057877426e-08 -1.883563295813707e-08 1.865737478730687e-08 ] [ -4.124289395532557e-08 7.536865307930317e-08 4.872714496863952e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 43.538269 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.97559967019014e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0277426 1.65703 1.7591968 ] [ 2.1131014 1.8686491 4.538947 ] [ 1.4151171 4.5684491 4.0204331 ] [ 4.8897224 1.899447 1.4819124 ] [ 4.7134473 2.822213 4.2102855 ] [ 3.3461612 4.5415078 1.9172432 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0277426e-10 1.65703e-10 1.7591968e-10 ] [ 2.1131014e-10 1.8686491e-10 4.538947e-10 ] [ 1.4151171e-10 4.5684491e-10 4.0204331e-10 ] [ 4.889722400000001e-10 1.899447e-10 1.4819124e-10 ] [ 4.7134473e-10 2.822213e-10 4.2102855e-10 ] [ 3.3461612e-10 4.5415078e-10 1.9172432e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.9e-06 -2.2e-06 0.0 ] [ -6.2e-06 -1.25e-05 1.74e-05 ] [ -1.23e-05 1.66e-05 -1.99e-05 ] [ 1.39e-05 -3e-07 -3.5e-06 ] [ 1.62e-05 -6e-06 -1.56e-05 ] [ -2.6e-06 4.4e-06 2.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.425937192512e-14 -3.52478856576e-15 0.0 ] [ -9.93349504896e-15 -2.002720776e-14 2.787787320192e-14 ] [ -1.970677243584e-14 2.659613190528e-14 -3.188331475392e-14 ] [ 2.227025502912e-14 -4.8065298624e-16 -5.6076181728e-15 ] [ 2.595526125696e-14 -9.6130597248e-15 -2.499395528448e-14 ] [ -4.16565921408e-15 7.04957713152e-15 3.460701500928e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.337879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457399114645928e-18 } }