{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0272405 0.4190741 1.0351498 ] [ 0.776631 0.0085985 -0.2370443 ] [ -1.9253248 0.720055 0.1823558 ] [ 0.592972 0.0711174 -0.3353489 ] [ 0.2715518 0.2197445 -1.9840195 ] [ 2.2438424 -2.3437015 1.5296837 ] [ -0.9324319 0.9051119 -0.1907765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.645820713038902e-09 6.714307254028012e-10 1.658492808585796e-09 ] [ 1.244300031188525e-09 1.37763156739488e-11 -3.797868355539015e-10 ] [ -3.084710382006436e-09 1.153655286690144e-09 2.921661994272807e-10 ] [ 9.500458751890176e-10 1.139426356120819e-10 -5.372881673909971e-10 ] [ 4.350739452961575e-10 3.520695004493857e-10 -3.178749658111306e-09 ] [ 3.595031834039762e-09 -3.755023749433891e-09 2.450823461358842e-09 ] [ -1.493920590668124e-09 1.450149125387867e-09 -3.056576480980512e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.4591521589289265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.034870257922577e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8464208 1.2689622 2.2856676 ] [ 2.0931189 1.5710911 4.652778 ] [ 2.1498943 3.8733362 5.3288629 ] [ 1.4372881 3.4827373 3.0046094 ] [ 3.814149 2.6402512 2.3401542 ] [ 4.2419154 2.6997183 4.7298462 ] [ 3.5084465 4.7172808 3.5034027 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8464208e-10 1.2689622e-10 2.2856676e-10 ] [ 2.0931189e-10 1.5710911e-10 4.652778e-10 ] [ 2.1498943e-10 3.8733362e-10 5.3288629e-10 ] [ 1.4372881e-10 3.4827373e-10 3.0046094e-10 ] [ 3.814149e-10 2.6402512e-10 2.3401542e-10 ] [ 4.2419154e-10 2.6997183e-10 4.7298462e-10 ] [ 3.5084465e-10 4.7172808e-10 3.5034027e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.7e-06 -2.8e-06 -4.5e-06 ] [ -4.85e-05 -1.7e-06 -4e-06 ] [ 9.5e-06 2.09e-05 7.8e-06 ] [ 3.96e-05 -5.2e-06 1.93e-05 ] [ 1.04e-05 -1.6e-06 -1.5e-05 ] [ 2.84e-05 -3.3e-06 -5.5e-06 ] [ -4.82e-05 -6.2e-06 1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.393893660096e-14 -4.48609453824e-15 -7.2097947936e-15 ] [ -7.77055661088e-14 -2.72370025536e-15 -6.4087064832e-15 ] [ 1.52206778976e-14 3.348549137472e-14 1.249697764224e-14 ] [ 6.344619418368e-14 -8.33131842816e-15 3.092200878144e-14 ] [ 1.666263685632e-14 -2.56348259328e-15 -2.4032649312e-14 ] [ 4.550181603071999e-14 -5.28718284864e-15 -8.8119714144e-15 ] [ -7.722491312256001e-14 -9.93349504896e-15 3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }