{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8091076 -0.9460806 -0.0162317 ] [ -5.7812269 7.0771536 -16.7062378 ] [ -8.8177676 -2.1060598 20.3407184 ] [ 3.6275449 -6.6486718 1.1344233 ] [ 7.162342 2.6236585 -4.7526722 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.102863142831599e-09 -1.515788218712437e-09 -2.600605025583936e-11 ] [ -9.262546578720058e-09 1.133885003973056e-08 -2.676634362468523e-08 ] [ -1.412762109636773e-08 -3.374279773566724e-09 3.258942347075638e-08 ] [ 5.811967629682275e-09 -1.065234651733225e-08 1.817546489350785e-09 ] [ 1.147533690257391e-08 4.203564309663197e-09 -7.614620285166101e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3407572 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.496554280640927e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4256293 0.0005001 1.5123626 ] [ 0.8676022 2.0366006 0.4130902 ] [ 0.9963968 1.9119545 2.6983316 ] [ 2.5196837 0.4616876 0.6245716 ] [ 2.8792827 2.5746654 1.5144901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.256293e-11 5.001e-14 1.5123626e-10 ] [ 8.676022e-11 2.0366006e-10 4.130902e-11 ] [ 9.963968e-11 1.9119545e-10 2.6983316e-10 ] [ 2.5196837e-10 4.616876e-11 6.245716e-11 ] [ 2.8792827e-10 2.5746654e-10 1.5144901e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.46e-05 5.45e-05 1.23e-05 ] [ 2.44e-05 -2.9e-06 3.49e-05 ] [ -4.2e-05 -5.48e-05 9.9e-06 ] [ 4.7e-05 -9.8e-06 -1.8e-06 ] [ -4.7e-06 1.3e-05 -5.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.941354487168e-14 8.731862583360001e-14 1.970677243584e-14 ] [ 3.909310954752e-14 -4.646312200320001e-15 5.591596406592e-14 ] [ -6.72914180736e-14 -8.779927881984e-14 1.586154854592e-14 ] [ 7.530230117759999e-14 -1.570133088384e-14 -2.88391791744e-15 ] [ -7.53023011776e-15 2.08282960704e-14 -8.860036713024e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247308174621e-18 } }