{ "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" [ [ 2.717363 2.851349 1.457488 ] [ 0.2108152 2.748454 1.624055 ] [ 2.409053 4.258926 3.949315 ] [ 4.77033 2.580775 2.438947 ] [ 3.623649 2.286945 4.240246 ] [ 4.139768 4.74377 1.918983 ] [ 5.145543 4.155434 3.91724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.717363e-10 2.851349e-10 1.457488e-10 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.409053e-10 4.258926e-10 3.949315e-10 ] [ 4.770330000000001e-10 2.580775e-10 2.438947e-10 ] [ 3.623649e-10 2.286945e-10 4.240246e-10 ] [ 4.139768e-10 4.743769999999999e-10 1.918983e-10 ] [ 5.145543e-10 4.155434e-10 3.91724e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7401939 0.6095135 0.0912585 ] [ 1.1148544 0.1539871 -0.0129313 ] [ 0.3180908 0.0219982 -0.7235851 ] [ 3.2281313 -3.1668796 -4.3291703 ] [ -1.8258042 -0.4471706 3.2989035 ] [ -1.2808765 1.2530674 -0.502745 ] [ 0.1857981 1.5754841 2.1782696 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.788097982238773e-09 9.76548279761981e-10 1.462122351492768e-10 ] [ 1.786193655276012e-09 2.467145315247916e-10 -2.071822653655104e-11 ] [ 5.096376430515686e-10 3.524500173968256e-11 -1.15931113037923e-09 ] [ 5.172036497732711e-09 -5.073900456008456e-09 -6.936095442121723e-09 ] [ -2.925260803398447e-09 -7.164462808291084e-10 5.285426061975293e-09 ] [ -2.052190382432131e-09 2.007635292566642e-09 -8.05486285224096e-10 ] [ 2.976813720090605e-10 2.524203791462129e-09 3.489972626919368e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.861127158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.390560905571853e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3473037 3.0455757 2.2240069 ] [ 0.4480126 2.3803071 1.0766455 ] [ 2.8127643 4.6000829 4.047377 ] [ 4.7205255 2.4853603 2.1154821 ] [ 3.5203399 2.2783048 4.2222768 ] [ 4.0129509 4.8071381 1.9405796 ] [ 5.1546244 4.0288841 3.9199062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3473037e-10 3.0455757e-10 2.2240069e-10 ] [ 4.480126e-11 2.3803071e-10 1.0766455e-10 ] [ 2.8127643e-10 4.6000829e-10 4.047377e-10 ] [ 4.7205255e-10 2.4853603e-10 2.1154821e-10 ] [ 3.5203399e-10 2.2783048e-10 4.222276800000001e-10 ] [ 4.0129509e-10 4.807138100000001e-10 1.9405796e-10 ] [ 5.1546244e-10 4.0288841e-10 3.9199062e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.5e-06 -2.8e-06 -1.1e-06 ] [ -3.3e-06 1.08e-05 7e-07 ] [ 3.3e-06 -7.2e-06 -1.95e-05 ] [ 1.89e-05 1.57e-05 1.27e-05 ] [ 1.03e-05 2e-07 2.15e-05 ] [ -3.8e-06 3.7e-06 7.9e-06 ] [ -1.99e-05 -2.03e-05 -2.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.8119714144e-15 -4.48609453824e-15 -1.76239428288e-15 ] [ -5.28718284864e-15 1.730350750464e-14 1.12152363456e-15 ] [ 5.28718284864e-15 -1.153567166976e-14 -3.12424441056e-14 ] [ 3.028113813312e-14 2.515417294656e-14 2.034764308416e-14 ] [ 1.650241919424e-14 3.2043532416e-16 3.44467973472e-14 ] [ -6.08827115904e-15 5.928053496960001e-15 1.265719530432e-14 ] [ -3.188331475392e-14 -3.252418540224e-14 -3.556832098176e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.947133158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.273271094962038e-18 } }