{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5943327 -3.9383856 1.2274987 ] [ -1.1164937 3.0374944 -0.036626 ] [ 0.1588216 -0.3703361 0.6456955 ] [ 1.0977134 -0.836644 -4.1872496 ] [ 4.4542915 2.1078713 2.3506815 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.360932500762131e-09 -6.30998938400207e-09 1.966669735405376e-09 ] [ -1.788820118148206e-09 4.866602553585849e-09 -5.868132139688399e-11 ] [ 2.544602564944944e-10 -5.933438461466873e-10 1.034518242778947e-09 ] [ 1.758730760308695e-09 -1.340451467776296e-09 -6.708713469845846e-09 ] [ 7.13656176232481e-09 3.377182144339204e-09 3.76620697327607e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.790686432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.568640903327621e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1241017 0.419752 2.1079005 ] [ 2.1609785 3.4686399 1.618491 ] [ 2.7174996 2.2101932 3.5635964 ] [ 3.3179279 1.711236 0.5005168 ] [ 4.7680623 1.9937559 2.3697774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1241017e-10 4.19752e-11 2.1079005e-10 ] [ 2.1609785e-10 3.4686399e-10 1.618491e-10 ] [ 2.7174996e-10 2.2101932e-10 3.5635964e-10 ] [ 3.3179279e-10 1.711236e-10 5.005168e-11 ] [ 4.768062300000001e-10 1.9937559e-10 2.3697774e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.77e-05 -1.8e-05 1.66e-05 ] [ 7.6e-06 -6.7e-06 -2.52e-05 ] [ 1.46e-05 -1.28e-05 -8e-06 ] [ -9.9e-06 3.21e-05 2.4e-06 ] [ 5.4e-06 5.5e-06 1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.83585264218e-14 -2.8839179412e-14 2.65961321244e-14 ] [ 1.21765424184e-14 -1.07345834478e-14 -4.037485117679999e-14 ] [ 2.33917788564e-14 -2.05078609152e-14 -1.2817413072e-14 ] [ -1.58615486766e-14 5.14298699514e-14 3.845223921599999e-15 ] [ 8.6517538236e-15 8.811971486999999e-15 2.29111258662e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }