{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4325231 -1.9850675 0.2635122 ] [ 0.2524825 -3.8922015 0.7581049 ] [ -1.6102978 -0.3528634 -0.3699887 ] [ 0.9084462 2.055917 -1.5923485 ] [ 1.6008249 1.0115067 0.6789228 ] [ -1.5487112 1.2730146 -3.1079895 ] [ 0.8297785 1.8896941 3.3697868 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.929783987759405e-10 -3.180428739209904e-09 4.221930861355737e-10 ] [ 4.04521558661136e-10 -6.235994246742691e-09 1.214617946893922e-09 ] [ -2.579981487685674e-09 -5.653494898159987e-10 -5.92787245100185e-10 ] [ 1.455491262894601e-09 3.293942151705274e-09 -2.551223538865949e-09 ] [ 2.564804228774498e-09 1.620612386522559e-09 1.087754237488074e-09 ] [ -2.481308877011113e-09 2.039594230057063e-09 -4.979548114591881e-09 ] [ 1.329451713142493e-09 3.027623707483697e-09 5.398993628040446e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.291992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.251135517186064e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1908412 2.88462 2.7407171 ] [ 4.7916008 1.266859 1.4982091 ] [ 5.044201 2.4558795 4.3530114 ] [ 3.4820678 1.0240127 3.4014137 ] [ 5.4922462 3.4863269 2.1980094 ] [ 3.5092552 3.1160716 0.8422756 ] [ 3.7617238 4.3045327 3.6957317 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1908412e-10 2.88462e-10 2.7407171e-10 ] [ 4.791600800000001e-10 1.266859e-10 1.4982091e-10 ] [ 5.044201e-10 2.4558795e-10 4.3530114e-10 ] [ 3.4820678e-10 1.0240127e-10 3.4014137e-10 ] [ 5.492246200000001e-10 3.4863269e-10 2.1980094e-10 ] [ 3.5092552e-10 3.1160716e-10 8.422756e-11 ] [ 3.7617238e-10 4.3045327e-10 3.6957317e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.34e-05 3.14e-05 4.4e-06 ] [ -2.1e-06 2.38e-05 4.81e-05 ] [ -4.85e-05 1.9e-06 -4.23e-05 ] [ 1.59e-05 4.7e-05 -1.95e-05 ] [ -4.95e-05 1.03e-05 -2.32e-05 ] [ 1.45e-05 -3.57e-05 1.44e-05 ] [ 1.63e-05 -7.87e-05 1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.555623155072e-14 5.030834589312e-14 7.04957713152e-15 ] [ -3.36457090368e-15 3.813180357504e-14 7.706469546047999e-14 ] [ -7.77055661088e-14 3.04413557952e-15 -6.777207105984e-14 ] [ 2.547460827072e-14 7.530230117759999e-14 -3.12424441056e-14 ] [ -7.930774272959999e-14 1.650241919424e-14 -3.717049760256e-14 ] [ 2.32315610016e-14 -5.719770536256001e-14 2.307134333952e-14 ] [ 2.611547891904e-14 -1.2609130005696e-13 2.899939683648e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }