{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.599025 3.051266 5.123232 ] [ 1.56583 2.880417 3.388537 ] [ 2.27514 4.963397 2.856014 ] [ 3.509207 1.897473 3.301843 ] [ 3.336514 3.219201 1.422465 ] [ 4.208969 3.943636 3.692529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599025e-10 3.051266e-10 5.123232e-10 ] [ 1.56583e-10 2.880417e-10 3.388537e-10 ] [ 2.27514e-10 4.963397e-10 2.856014e-10 ] [ 3.509207e-10 1.897473e-10 3.301843e-10 ] [ 3.336514e-10 3.219201e-10 1.422465e-10 ] [ 4.208969e-10 3.943636e-10 3.692529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8816872 0.7037753 12.4220108 ] [ -16.9737739 -2.8718559 -6.427734 ] [ -1.3991517 4.1876283 -1.5743055 ] [ 4.5277733 -10.4412636 -1.6011119 ] [ 0.7143404 0.5812288 -5.1308261 ] [ 11.2491247 7.8404871 2.3119666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.014795239498614e-09 1.127572331956506e-09 1.990225528708511e-08 ] [ -2.719498370932524e-08 -4.601220381286543e-09 -1.029836513952127e-08 ] [ -2.241688142692575e-09 6.709320158860449e-09 -2.522315466096854e-09 ] [ 7.254292525542464e-09 -1.672874843153004e-08 -2.565264053464668e-09 ] [ 1.14449948817292e-09 9.31231194695639e-10 -8.220489622810442e-09 ] [ 1.802308459880381e-08 1.256184512730399e-08 3.704178834590465e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.5048018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.202401798769776e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.181499 2.8108113 5.1139109 ] [ 1.0792923 2.9998078 3.6930435 ] [ 2.0947592 4.8132617 2.4318664 ] [ 2.9633592 1.4468828 2.9771018 ] [ 3.9788286 3.2603417 1.7159444 ] [ 4.1969468 4.6242848 3.8527531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.181499e-10 2.8108113e-10 5.1139109e-10 ] [ 1.0792923e-10 2.9998078e-10 3.6930435e-10 ] [ 2.0947592e-10 4.8132617e-10 2.4318664e-10 ] [ 2.9633592e-10 1.4468828e-10 2.9771018e-10 ] [ 3.9788286e-10 3.2603417e-10 1.7159444e-10 ] [ 4.1969468e-10 4.6242848e-10 3.8527531e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.04e-05 6.1e-06 2.16e-05 ] [ 9.2e-06 3e-07 -6.2e-06 ] [ -4.44e-05 1.03e-05 4.6e-06 ] [ 2e-07 -8.5e-06 7.9e-06 ] [ 2.46e-05 1.06e-05 -2.29e-05 ] [ 3.07e-05 -1.88e-05 -5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.268440306432e-14 9.77327738688e-15 3.460701500928e-14 ] [ 1.474002491136e-14 4.8065298624e-16 -9.93349504896e-15 ] [ -7.113664196352e-14 1.650241919424e-14 7.370012455680001e-15 ] [ 3.2043532416e-16 -1.36185012768e-14 1.265719530432e-14 ] [ 3.941354487168e-14 1.698307218048e-14 -3.668984461632e-14 ] [ 4.918682225856e-14 -3.012092047104e-14 -8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.331035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.296084922886653e-18 } }