{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.9184349 -9.0077821 3.0814958 ] [ -7.6066373 3.7621143 -17.3736171 ] [ -5.6690558 6.1783651 20.227 ] [ 10.0418153 -6.7957828 -6.2749996 ] [ 10.1523127 5.8630855 0.3401209 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.108455464930679e-08 -1.443205788588073e-08 4.937100527853393e-09 ] [ -1.218717644496524e-08 6.027571576237357e-09 -2.78356031363511e-08 ] [ -9.08282866477064e-09 9.898832117986655e-09 3.24072265089216e-08 ] [ 1.608876170405174e-08 -1.088804432219476e-08 -1.005365765464935e-08 ] [ 1.626579805499092e-08 9.39369851385148e-09 5.449337542254547e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 0.95441286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.529137970882864e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.3186285 0.8215915 1.8271752 ] [ 0.7179362 0.5564451 -0.267216 ] [ 1.2101612 1.8821983 3.2656301 ] [ 2.8874784 1.4528548 -0.1230675 ] [ 3.1916474 2.2723186 2.0603243 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.186285e-11 8.215915e-11 1.8271752e-10 ] [ 7.179362e-11 5.564451000000001e-11 -2.67216e-11 ] [ 1.2101612e-10 1.8821983e-10 3.2656301e-10 ] [ 2.8874784e-10 1.4528548e-10 -1.230675e-11 ] [ 3.1916474e-10 2.2723186e-10 2.0603243e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-05 9.4e-06 -1.48e-05 ] [ -5.1e-06 -1.37e-05 -7.9e-06 ] [ 5.4e-06 8e-07 7.5e-06 ] [ -1.77e-05 3.7e-06 1.2e-05 ] [ 1.4e-06 -3e-07 3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-14 1.506046023552e-14 -2.371221398784e-14 ] [ -8.17110076608e-15 -2.194981970496e-14 -1.265719530432e-14 ] [ 8.65175375232e-15 1.28174129664e-15 1.2016324656e-14 ] [ -2.835852618816e-14 5.928053496960001e-15 1.92261194496e-14 ] [ 2.24304726912e-15 -4.8065298624e-16 5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }