{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3693526 2.920438 -1.5123869 ] [ -0.058233 -2.1877767 0.7589877 ] [ -2.9932492 0.4447271 0.8370274 ] [ -1.1941456 -1.3669881 -2.0974802 ] [ 1.4974049 -2.7436234 4.0919716 ] [ 0.2867309 3.2250987 3.1099887 ] [ 1.0921393 -0.2918756 -5.1881082 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.193944721351694e-09 4.679057486095911e-09 -2.423110932784188e-09 ] [ -9.329955115904641e-11 -3.505204680270976e-09 1.216032348414764e-09 ] [ -4.795713888468303e-09 7.125313622561837e-10 1.34106573124901e-09 ] [ -1.913232162151188e-09 -2.190156374731813e-09 -3.360533739030909e-09 ] [ 2.399107122651362e-09 -4.395769267759807e-09 6.556061230497569e-09 ] [ 4.593935444409428e-10 5.167177736912473e-09 4.982751186092185e-09 ] [ 1.749800053116877e-09 -4.676362625019725e-10 -8.312265664220771e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.190589 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.074671303518165e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2904158 1.671239 2.6633691 ] [ 2.0156944 3.6166285 1.4191728 ] [ 2.1516977 3.5836298 3.9393054 ] [ 3.4960529 1.4483488 1.695341 ] [ 3.9160409 1.8512101 4.0163787 ] [ 4.4064289 3.6721624 1.3091838 ] [ 4.5399073 4.1022235 3.5922012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2904158e-10 1.671239e-10 2.6633691e-10 ] [ 2.0156944e-10 3.6166285e-10 1.4191728e-10 ] [ 2.1516977e-10 3.5836298e-10 3.9393054e-10 ] [ 3.4960529e-10 1.4483488e-10 1.695341e-10 ] [ 3.9160409e-10 1.8512101e-10 4.0163787e-10 ] [ 4.4064289e-10 3.6721624e-10 1.3091838e-10 ] [ 4.5399073e-10 4.1022235e-10 3.5922012e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.13e-05 4.7e-06 -2.1e-05 ] [ -5.53e-05 -4.13e-05 1.86e-05 ] [ -1.29e-05 4.07e-05 -3.25e-05 ] [ -1.05e-05 -9e-07 -1.63e-05 ] [ 3.88e-05 -4e-07 1.51e-05 ] [ 2.54e-05 1.73e-05 1.53e-05 ] [ 2.57e-05 -2e-05 2.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.810459581504e-14 7.53023011776e-15 -3.36457090368e-14 ] [ -8.860036713024e-14 -6.616989443904001e-14 2.980048514688e-14 ] [ -2.066807840832e-14 6.520858846656e-14 -5.207074017599999e-14 ] [ -1.68228545184e-14 -1.44195895872e-15 -2.611547891904e-14 ] [ 6.216445288704e-14 -6.408706483200001e-16 2.419286697408e-14 ] [ 4.069528616832e-14 2.771765553984e-14 2.451330229824e-14 ] [ 4.117593915456e-14 -3.2043532416e-14 3.332527371264e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.786315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490552454638435e-18 } }