{ "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" [ [ 1.063375 0.5708417 2.359419 ] [ 2.68579 2.886891 2.868985 ] [ 0.6763911 2.686272 1.583941 ] [ 2.607368 0.7750333 4.497523 ] [ 3.625325 0.6457468 2.38821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.063375e-10 5.708417e-11 2.359419e-10 ] [ 2.68579e-10 2.886891e-10 2.868985e-10 ] [ 6.763911e-11 2.686272e-10 1.583941e-10 ] [ 2.607368e-10 7.750333e-11 4.497523e-10 ] [ 3.625325e-10 6.457468e-11 2.38821e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0947662 -1.0297334 0.8250692 ] [ 0.016942 -0.6288825 0.337149 ] [ 0.0195168 0.8775868 -0.0189482 ] [ -0.8582713 0.7428697 -0.5159732 ] [ -0.2729537 0.0381593 -0.6272968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.754008810882057e-09 -1.649814779136895e-09 1.321906582782159e-09 ] [ 2.71440763095936e-11 -1.007580838730256e-09 5.401722455260992e-10 ] [ 3.126936067282944e-11 1.406049053682685e-09 -3.035836304624256e-11 ] [ -1.375102211163623e-09 1.19020846564071e-09 -8.266801979993626e-10 ] [ -4.37320036700857e-10 6.113793832609344e-11 -1.005040267262653e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.654154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.18763663156028e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2409587 0.6234698 2.3684612 ] [ 2.6292692 2.7234661 2.8361389 ] [ 0.5668095 2.7909621 1.6462946 ] [ 2.5082345 0.8770702 4.4770159 ] [ 3.7129772 0.5498166 2.3701675 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2409587e-10 6.234698e-11 2.3684612e-10 ] [ 2.6292692e-10 2.7234661e-10 2.8361389e-10 ] [ 5.668095e-11 2.7909621e-10 1.6462946e-10 ] [ 2.5082345e-10 8.770702000000001e-11 4.4770159e-10 ] [ 3.7129772e-10 5.498166e-11 2.3701675e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 -3.1e-06 -2e-07 ] [ 1e-06 1.1e-06 8e-07 ] [ 3e-07 1e-06 -1e-07 ] [ 2.2e-06 2e-07 -4.3e-06 ] [ -6e-07 8e-07 3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 -4.96674752448e-15 -3.2043532416e-16 ] [ 1.6021766208e-15 1.76239428288e-15 1.28174129664e-15 ] [ 4.8065298624e-16 1.6021766208e-15 -1.6021766208e-16 ] [ 3.52478856576e-15 3.2043532416e-16 -6.889359469440001e-15 ] [ -9.6130597248e-16 1.28174129664e-15 5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.106817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260161239130399e-18 } }