{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6477142 0.8198326 1.3381228 ] [ 2.4427508 -0.7963919 -0.3255332 ] [ 0.3256376 1.201251 0.6522467 ] [ 0.296592 -0.0523773 -0.2175887 ] [ -0.5592791 0.3123095 -0.6237251 ] [ -0.1421165 0.5279323 -0.1516769 ] [ -1.7158706 -2.0125563 -0.6718456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.037752556750003e-09 1.313516635511468e-09 2.143909083582655e-09 ] [ 3.913718254444807e-09 -1.275960493686865e-09 -5.215616866312488e-10 ] [ 5.217289538718384e-10 1.924616283769134e-09 1.045014422343608e-09 ] [ 4.75192772231328e-10 -8.391768621200819e-11 -3.486155309624358e-10 ] [ -8.960639059045494e-10 5.00374983476223e-10 -9.993177812593133e-10 ] [ -2.27695735605861e-10 8.458407953938781e-10 -2.430131850975546e-10 ] [ -2.74912778228756e-09 -3.224470678469494e-09 -1.07641532197571e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.332272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.097371448053245e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0993032 1.9533514 1.1711287 ] [ 2.4235641 3.972661 1.9955103 ] [ 5.2392982 2.6934409 1.674755 ] [ 3.4436246 0.4426414 2.8483401 ] [ 5.3809546 1.3953071 3.5919793 ] [ 4.9750664 3.3485686 4.7027621 ] [ 4.4687728 4.5519337 2.8294172 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0993032e-10 1.9533514e-10 1.1711287e-10 ] [ 2.4235641e-10 3.972661e-10 1.9955103e-10 ] [ 5.239298200000001e-10 2.6934409e-10 1.674755e-10 ] [ 3.4436246e-10 4.426414e-11 2.8483401e-10 ] [ 5.3809546e-10 1.3953071e-10 3.5919793e-10 ] [ 4.9750664e-10 3.3485686e-10 4.7027621e-10 ] [ 4.4687728e-10 4.5519337e-10 2.8294172e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 2.6e-06 -2.29e-05 ] [ 9.5e-06 -3.52e-05 3.49e-05 ] [ -7e-06 -2.42e-05 4.12e-05 ] [ -2.19e-05 2.15e-05 -1.63e-05 ] [ 3.19e-05 -1.56e-05 -1.85e-05 ] [ -2.31e-05 3.34e-05 -1.34e-05 ] [ 1.29e-05 1.76e-05 -5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.685006258199999e-15 4.165659248399999e-15 -3.66898449186e-14 ] [ 1.5220678023e-14 -5.63966175168e-14 5.59159645266e-14 ] [ -1.1215236438e-14 -3.877267454279999e-14 6.600967732079998e-14 ] [ -3.50876682846e-14 3.4446797631e-14 -2.61154791342e-14 ] [ 5.11094346246e-14 -2.49939554904e-14 -2.9640267729e-14 ] [ -3.70102802454e-14 5.351269957559999e-14 -2.14691668956e-14 ] [ 2.06680785786e-14 2.81983087584e-14 -8.010883169999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.355798 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.581793719002393e-18 } }