{ "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" [ [ 1.875325 2.956791 1.293332 ] [ 2.112421 5.47429 1.464888 ] [ 2.056962 4.106673 3.914817 ] [ 3.228113 2.011758 3.122182 ] [ 3.602336 4.040974 2.324239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.875325e-10 2.956791e-10 1.293332e-10 ] [ 2.112421e-10 5.47429e-10 1.464888e-10 ] [ 2.056962e-10 4.106673e-10 3.914817000000001e-10 ] [ 3.228113e-10 2.011758e-10 3.122182e-10 ] [ 3.602336e-10 4.040974e-10 2.324239e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4212143 -0.0588638 -0.3767053 ] [ -0.7678999 -0.5003068 0.2877724 ] [ -0.5440935 0.1633948 0.3089699 ] [ -0.7780268 -0.8136895 0.3646476 ] [ 2.5112346 1.2094653 -0.5846846 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.748597038066375e-10 -9.431020417144705e-11 -6.035484245914503e-10 ] [ -1.230311266894658e-09 -8.015798581872615e-10 4.610622113915059e-10 ] [ -8.717338852292448e-10 2.617873285202919e-10 4.95024350310914e-10 ] [ -1.246536349315838e-09 -1.303674293490442e-09 5.842298595508301e-10 ] [ 4.02344136546404e-09 1.937777027328858e-09 -9.367679966617998e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.43061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.151820934508269e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1765345 2.9223103 0.9671205 ] [ 1.7431672 5.0807876 1.8194551 ] [ 2.2910555 4.3333939 3.9907458 ] [ 2.7244193 2.1749165 3.1384145 ] [ 3.9399805 4.0790777 2.2037221 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1765345e-10 2.9223103e-10 9.671205e-11 ] [ 1.7431672e-10 5.0807876e-10 1.8194551e-10 ] [ 2.2910555e-10 4.3333939e-10 3.9907458e-10 ] [ 2.7244193e-10 2.1749165e-10 3.1384145e-10 ] [ 3.9399805e-10 4.0790777e-10 2.2037221e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-07 8.1e-06 -9.3e-06 ] [ 9.9e-06 -4.7e-06 -1.41e-05 ] [ 1.52e-05 -5.2e-06 6.5e-06 ] [ 9.1e-06 7.4e-06 4.7e-06 ] [ -3.49e-05 -5.6e-06 1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.12152363456e-15 1.297763062848e-14 -1.490024257344e-14 ] [ 1.586154854592e-14 -7.53023011776e-15 -2.259069035328e-14 ] [ 2.435308463616e-14 -8.33131842816e-15 1.04141480352e-14 ] [ 1.457980724928e-14 1.185610699392e-14 7.53023011776e-15 ] [ -5.591596406592e-14 -8.972189076479999e-15 1.970677243584e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }