{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5150354 -5.7269284 -4.2654908 ] [ -2.6373481 -1.0839164 4.360841 ] [ 0.2021353 3.798882 -3.8074295 ] [ -1.29226 1.7604456 1.3866815 ] [ 5.8459249 -1.5844638 3.2116878 ] [ 0.5369809 1.801936 -2.2256887 ] [ 0.8596023 1.034045 1.3393987 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.631707539164376e-09 -9.175550791475551e-09 -6.834069635997489e-09 ] [ -4.225497466731301e-09 -1.736625514981701e-09 6.986837497226093e-09 ] [ 3.238564518983942e-10 6.086479925577946e-09 -6.100174530244234e-09 ] [ -2.070428759995008e-09 2.820544782510228e-09 2.221708679795875e-09 ] [ 9.366204201732578e-09 -2.538590856863927e-09 5.145691106468586e-09 ] [ 8.603382437961427e-10 2.887019731377869e-09 -3.565946400318745e-09 ] [ 1.377234708245908e-09 1.656722723855136e-09 2.145953283069913e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.504568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.644323298600382e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8531349 1.7332241 1.9687915 ] [ 1.798389 2.542012 3.9706926 ] [ 2.5750695 3.9868984 0.9601788 ] [ 2.0971243 4.8792399 3.1232976 ] [ 5.0448468 2.4796989 2.8703533 ] [ 4.9336736 3.9888331 1.0584933 ] [ 3.9067149 3.7749066 4.5228938 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8531349e-10 1.7332241e-10 1.9687915e-10 ] [ 1.798389e-10 2.542012e-10 3.9706926e-10 ] [ 2.5750695e-10 3.9868984e-10 9.601788e-11 ] [ 2.0971243e-10 4.8792399e-10 3.1232976e-10 ] [ 5.044846800000001e-10 2.4796989e-10 2.8703533e-10 ] [ 4.933673599999999e-10 3.9888331e-10 1.0584933e-10 ] [ 3.9067149e-10 3.7749066e-10 4.5228938e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.44e-05 5.36e-05 -2.41e-05 ] [ 1.57e-05 2.86e-05 3.97e-05 ] [ 1.81e-05 -3.08e-05 -3.61e-05 ] [ -2.19e-05 8.6e-06 5.83e-05 ] [ 4.23e-05 -3.21e-05 -5.6e-06 ] [ -1.44e-05 -1.89e-05 -3e-06 ] [ -6.42e-05 -9e-06 -2.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.909310954752e-14 8.587666687488e-14 -3.861245656128e-14 ] [ 2.515417294656e-14 4.582225135488e-14 6.360641184576e-14 ] [ 2.899939683648e-14 -4.934703992064001e-14 -5.783857601088001e-14 ] [ -3.508766799552e-14 1.377871893888e-14 9.340689699264e-14 ] [ 6.777207105984e-14 -5.142986952768e-14 -8.972189076479999e-15 ] [ -2.307134333952e-14 -3.028113813312e-14 -4.8065298624e-15 ] [ -1.0285973905536e-13 -1.44195895872e-14 -4.662333966527999e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.439394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.11453425893198e-18 } }