{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5281148 -3.3927606 -8.203725 ] [ -6.4318035 -5.9192665 6.8584166 ] [ -9.7545747 4.8686376 -5.3646022 ] [ 5.606829 11.7800172 2.2945071 ] [ 7.0514343 -7.3366277 4.4154035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.652663048058468e-09 -5.435801713291381e-09 -1.314381639847248e-08 ] [ -1.030488519727961e-08 -9.483710398584642e-09 1.098839473222663e-08 ] [ -1.562855153018717e-08 7.800417337867822e-09 -8.595040224732247e-09 ] [ 8.983130340623444e-09 1.887366815046188e-08 3.676205631879608e-09 ] [ 1.129764317856721e-08 -1.175457337645368e-08 7.074256259098494e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.7676838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.638671519726904e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2730295 1.8059395 1.4499727 ] [ 0.2849705 1.0964009 3.0080985 ] [ 0.5420379 3.5631462 2.0699871 ] [ 3.0127181 4.0303457 2.4364782 ] [ 3.8604819 1.7726127 3.5386744 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2730295e-10 1.8059395e-10 1.4499727e-10 ] [ 2.849705e-11 1.0964009e-10 3.0080985e-10 ] [ 5.420379e-11 3.5631462e-10 2.0699871e-10 ] [ 3.0127181e-10 4.0303457e-10 2.4364782e-10 ] [ 3.8604819e-10 1.7726127e-10 3.5386744e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.59e-05 2.41e-05 2.59e-05 ] [ 2.96e-05 2.74e-05 6.8e-06 ] [ 2.11e-05 -3.39e-05 -2.55e-05 ] [ -1.28e-05 -1.43e-05 2.22e-05 ] [ -2.2e-05 -3.3e-06 -2.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.547460827072e-14 3.861245656128e-14 4.149637447872e-14 ] [ 4.742442797568e-14 4.389963940992e-14 1.089480102144e-14 ] [ 3.380592669888e-14 -5.431378744512e-14 -4.08555038304e-14 ] [ -2.050786074624e-14 -2.291112567744e-14 3.556832098176e-14 ] [ -3.52478856576e-14 -5.28718284864e-15 -4.694377498944e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.498488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.842260864814935e-18 } }