{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.476589 -28.7159984 11.9600435 ] [ -45.6419441 43.2145959 -11.6881061 ] [ -15.8905042 -18.4457692 -3.5281314 ] [ -5.4869857 -5.8950335 -36.152911 ] [ 22.8906884 13.7858272 23.2711393 ] [ 3.3847517 -17.4164361 9.6851029 ] [ 33.2674048 13.4728142 6.4528629 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.197881609913045e-08 -4.60081012794102e-08 1.9162102079451e-08 ] [ -7.31264557648805e-08 6.923741522829953e-08 -1.872641033484987e-08 ] [ -2.545939432196421e-08 -2.955338016491272e-08 -5.652689644190374e-09 ] [ -8.791120207203922e-09 -9.444884852532797e-09 -5.792334877806316e-08 ] [ 3.667492578849776e-08 2.208733003822873e-08 3.728447532584008e-08 ] [ 5.422970040953055e-09 -2.790420673707713e-08 1.551724543642228e-08 ] [ 5.33002582052497e-08 2.158582792762226e-08 1.033862607560769e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.9439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.874929706597312e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4961147 2.1089693 4.0629568 ] [ 1.2715064 5.5645914 2.7789013 ] [ 0.7715701 2.957063 2.1767696 ] [ 2.7795465 3.2587674 0.363299 ] [ 3.097689 4.6665299 4.7761642 ] [ 4.6056884 2.3606845 2.360593 ] [ 4.0925224 5.2269976 2.0832061 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4961147e-10 2.1089693e-10 4.0629568e-10 ] [ 1.2715064e-10 5.564591400000001e-10 2.7789013e-10 ] [ 7.715701e-11 2.957063e-10 2.1767696e-10 ] [ 2.7795465e-10 3.2587674e-10 3.63299e-11 ] [ 3.097689e-10 4.6665299e-10 4.7761642e-10 ] [ 4.6056884e-10 2.3606845e-10 2.360593e-10 ] [ 4.0925224e-10 5.2269976e-10 2.0832061e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.5e-05 -2.9e-06 3e-07 ] [ 2.11e-05 -7.4e-06 -1.97e-05 ] [ 2.02e-05 1.89e-05 1.96e-05 ] [ 9.9e-06 -4e-06 -5e-07 ] [ -2.77e-05 -8.2e-06 3.42e-05 ] [ -2.54e-05 1.44e-05 -1.74e-05 ] [ -1.31e-05 -1.08e-05 -1.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.4032649312e-14 -4.646312200320001e-15 4.8065298624e-16 ] [ 3.380592669888e-14 -1.185610699392e-14 -3.156287942976e-14 ] [ 3.236396774016e-14 3.028113813312e-14 3.140266176767999e-14 ] [ 1.586154854592e-14 -6.4087064832e-15 -8.010883104e-16 ] [ -4.438029239616e-14 -1.313784829056e-14 5.479444043136e-14 ] [ -4.069528616832e-14 2.307134333952e-14 -2.787787320192e-14 ] [ -2.098851373248e-14 -1.730350750464e-14 -2.64359142432e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337389132412e-18 } }