{ "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" [ [ 1.30949 2.712734 2.978333 ] [ 0.0672006 1.690783 1.932827 ] [ 2.539316 0.8650755 1.245634 ] [ 2.964133 0.3086468 2.850804 ] [ 2.353048 2.858216 0.4219119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.30949e-10 2.712734e-10 2.978333e-10 ] [ 6.72006e-12 1.690783e-10 1.932827e-10 ] [ 2.539316e-10 8.650755e-11 1.245634e-10 ] [ 2.964133e-10 3.086468e-11 2.850804e-10 ] [ 2.353048e-10 2.858216e-10 4.219119e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.4555375 6.4365384 7.046293 ] [ -7.733642 -4.9551835 -4.1488013 ] [ -2.1710222 -1.3871932 -16.1519063 ] [ 4.3184652 -4.3435322 15.1932918 ] [ 1.1306615 4.2493704 -1.9388773 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.13855801559768e-09 1.031247134336144e-08 1.128940590790669e-08 ] [ -1.239066040603695e-08 -7.939079155473918e-09 -6.647112447204647e-09 ] [ -3.478361012077781e-09 -2.222528513572738e-09 -2.587820665521223e-08 ] [ 6.918943981178397e-09 -6.95910574253199e-09 2.434233691495235e-08 ] [ 1.811519421338659e-09 6.808241907999545e-09 -3.106423880659828e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.7311285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.375750231100573e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5541047 2.8084794 3.0531557 ] [ 0.0093265 1.307331 1.7902698 ] [ 2.1391738 0.565709 0.7186434 ] [ 2.9422073 0.7330909 3.076989 ] [ 2.5883753 3.0208451 0.7904519 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5541047e-10 2.8084794e-10 3.0531557e-10 ] [ 9.3265e-13 1.307331e-10 1.7902698e-10 ] [ 2.1391738e-10 5.65709e-11 7.186434000000001e-11 ] [ 2.9422073e-10 7.330909000000001e-11 3.076989e-10 ] [ 2.5883753e-10 3.0208451e-10 7.904519e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-05 3.7e-05 2.52e-05 ] [ -3.28e-05 1.83e-05 3.7e-06 ] [ 2.81e-05 -4.68e-05 -1.85e-05 ] [ 2.8e-05 -1.84e-05 -1.29e-05 ] [ 3.7e-06 9.9e-06 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32587687616e-14 5.92805349696e-14 4.037485084416e-14 ] [ -5.255139316223999e-14 2.931983216064e-14 5.928053496960001e-15 ] [ 4.502116304448e-14 -7.498186585344001e-14 -2.96402674848e-14 ] [ 4.48609453824e-14 -2.948004982272e-14 -2.066807840832e-14 ] [ 5.928053496960001e-15 1.586154854592e-14 4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.731874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.719435762017138e-18 } }