{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.4905857 -13.3870944 -5.8389005 ] [ 0.0 0.0 0.0 ] [ 11.5224525 -22.4345025 11.3952196 ] [ 13.2334978 25.5962265 -21.1248547 ] [ -9.2653645 10.2253704 15.5685356 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.481865425103881e-08 -2.144848966812261e-08 -9.35494987227743e-09 ] [ 0.0 0.0 0.0 ] [ 1.846100400977851e-08 -3.594403540477915e-08 1.825715443200193e-08 ] [ 2.120240078656823e-08 4.100967567900141e-08 -3.3845748318137e-08 ] [ -1.484475038509028e-08 1.638284939390034e-08 2.49435437584125e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.3000405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.491600978393142e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4103247 -1.4928138 0.0223376 ] [ 0.032965 0.0756626 2.808384 ] [ 2.0544732 0.4931087 0.7174732 ] [ 2.3660122 2.5314716 1.4875354 ] [ 2.3371909 4.5709827 2.313122 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4103247e-10 -1.4928138e-10 2.23376e-12 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.0544732e-10 4.931087e-11 7.174732e-11 ] [ 2.3660122e-10 2.5314716e-10 1.4875354e-10 ] [ 2.3371909e-10 4.5709827e-10 2.313122e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0027963 0.0020097 0.0003565 ] [ 0.0 0.0 0.0 ] [ -0.0034728 -0.0064253 -0.0020243 ] [ -0.0014438 0.0068173 0.0029776 ] [ 0.0021203 -0.0024017 -0.0013097 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.480166484743039e-12 3.21989435482176e-12 5.711759653152e-13 ] [ 0.0 0.0 0.0 ] [ -5.56403896871424e-12 -1.029446544162624e-11 -3.24328613348544e-12 ] [ -2.31322260511104e-12 1.092251867697984e-11 4.77064110609408e-12 ] [ 3.39709508908224e-12 -3.84794759017536e-12 -2.09837072026176e-12 ] ] } "relaxed-potential-energy" { "source-value" -8.4174055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.348617029989333e-18 } }