{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4147919 0.1188417 2.672415 ] [ 0.6892124 1.667561 0.0898235 ] [ 0.5303116 1.702107 2.13154 ] [ 2.147495 1.160279 2.850921 ] [ 1.555523 2.957039 1.141113 ] [ 2.952569 2.336763 2.431712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.147919e-11 1.188417e-11 2.672415e-10 ] [ 6.892124e-11 1.667561e-10 8.98235e-12 ] [ 5.303116e-11 1.702107e-10 2.13154e-10 ] [ 2.147495e-10 1.160279e-10 2.850921e-10 ] [ 1.555523e-10 2.957039e-10 1.141113e-10 ] [ 2.952569e-10 2.336763e-10 2.431712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.5078101 -34.9225342 9.769077 ] [ -7.4447402 -10.4636067 -18.0969242 ] [ -28.4138444 23.672085 -1.3720071 ] [ -5.9280307 -51.8782958 28.392162 ] [ 9.2737391 26.9764963 -8.8380427 ] [ 43.0206862 46.6158554 -9.854265 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.683536767802611e-08 -5.595206783432843e-08 1.5651786776195e-08 ] [ -1.192778869636992e-08 -1.676454602398624e-08 -2.899446886162974e-08 ] [ -4.5523997204729e-08 3.792686115259037e-08 -2.198197699191608e-09 ] [ -9.497752194924658e-09 -8.311819265770683e-08 4.548925817036617e-08 ] [ 1.485816797341883e-08 4.322111168295771e-08 -1.416010538757211e-08 ] [ 6.89267376404132e-08 7.468683368047342e-08 -1.578827299816771e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 32.858405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.264496828777782e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4427758 -0.6213435 2.9096624 ] [ 0.208727 2.0148965 -0.4836429 ] [ 0.167467 1.6780129 1.9862425 ] [ 2.0799571 1.1015904 3.6443493 ] [ 1.8880336 3.263525 0.8615242 ] [ 3.5029423 2.5059095 2.399389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.427758e-11 -6.213435000000001e-11 2.9096624e-10 ] [ 2.08727e-11 2.0148965e-10 -4.836429e-11 ] [ 1.67467e-11 1.6780129e-10 1.9862425e-10 ] [ 2.0799571e-10 1.1015904e-10 3.6443493e-10 ] [ 1.8880336e-10 3.263525e-10 8.615242e-11 ] [ 3.5029423e-10 2.5059095e-10 2.399389e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.2e-06 1.95e-05 -1.63e-05 ] [ 1.9e-06 -1.92e-05 -1.5e-06 ] [ -8.1e-06 -1.6e-06 2.87e-05 ] [ -1.78e-05 -4.8e-06 -1.67e-05 ] [ 2.14e-05 -5.5e-06 2.25e-05 ] [ -4.6e-06 1.15e-05 -1.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.153567166976e-14 3.12424441056e-14 -2.611547891904e-14 ] [ 3.04413557952e-15 -3.076179111936e-14 -2.4032649312e-15 ] [ -1.297763062848e-14 -2.56348259328e-15 4.598246901696e-14 ] [ -2.851874385024e-14 -7.69044777984e-15 -2.675634956736e-14 ] [ 3.428657968511999e-14 -8.8119714144e-15 3.604897396800001e-14 ] [ -7.370012455680001e-15 1.84250311392e-14 -2.675634956736e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.673567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.19074693703424e-18 } }