{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1462425 -1.3854981 -1.8673244 ] [ 0.7530724 -2.7517521 -1.0048172 ] [ -6.4372518 3.7146439 3.1734448 ] [ 9.5296344 -16.5361176 -7.8199876 ] [ 0.3337871 -4.187462 10.0779713 ] [ -1.6482518 21.5387811 2.2380364 ] [ -2.3847478 -0.3925954 -4.7973232 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.343063163977449e-10 -2.219812682271395e-09 -2.991783521778069e-09 ] [ 1.206555002990302e-09 -4.408792917180431e-09 -1.609894639281305e-09 ] [ -1.031361442113444e-08 5.951515660210632e-09 5.084419107848802e-09 ] [ 1.526815756624261e-08 -2.649378123579616e-08 -1.252900141088974e-08 ] [ 5.347858923506213e-10 -6.709053772162907e-09 1.61466901349826e-08 ] [ -2.640790520908441e-09 3.450893180326082e-08 3.585729626121477e-09 ] [ -3.820787203142905e-09 -6.290071764958836e-10 -7.686159136786108e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7716858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.40537900295496e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9707011 1.396892 0.1714988 ] [ 2.7003679 0.8418885 2.3819974 ] [ 2.3214604 3.0765107 3.4442039 ] [ 4.9002247 2.0349464 2.3313359 ] [ 4.5537452 2.92692 4.7252594 ] [ 4.4084706 4.6371795 2.7879635 ] [ 3.1026601 3.4185698 0.9027009 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9707011e-10 1.396892e-10 1.714988e-11 ] [ 2.7003679e-10 8.418885e-11 2.3819974e-10 ] [ 2.3214604e-10 3.0765107e-10 3.4442039e-10 ] [ 4.9002247e-10 2.0349464e-10 2.3313359e-10 ] [ 4.5537452e-10 2.92692e-10 4.7252594e-10 ] [ 4.4084706e-10 4.6371795e-10 2.7879635e-10 ] [ 3.1026601e-10 3.4185698e-10 9.027009e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.2e-06 8.33e-05 7.99e-05 ] [ -7.21e-05 -0.0001264 -1.88e-05 ] [ -0.0002826 -4.53e-05 0.0001398 ] [ 0.0002393 -0.0001437 -8.93e-05 ] [ 4.85e-05 0.0001292 4.91e-05 ] [ 8.3e-06 4.5e-06 -3.6e-06 ] [ 5.35e-05 9.83e-05 -0.000157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.331318496799998e-15 1.334613136122e-13 1.280139130566e-13 ] [ -1.155169353114e-13 -2.025151265376e-13 -3.012092071919999e-14 ] [ -4.527751167683999e-13 -7.25786015202e-14 2.239842934332e-13 ] [ 3.834008685162e-13 -2.302327823058e-13 -1.430743734162e-13 ] [ 7.770556674899999e-14 2.070012211128e-13 7.866687272939998e-14 ] [ 1.32980660622e-14 7.209794853e-15 -5.767835882399999e-15 ] [ 8.571644991899998e-14 1.574939631222e-13 -2.51541731538e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.696818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.675125166175061e-18 } }