{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.805335 -13.873839 -26.642345 ] [ -25.0155947 -11.736017 21.1992352 ] [ -22.4058871 33.8471123 -10.6405239 ] [ 12.2783784 -5.4412799 -9.3698935 ] [ 22.6370837 -39.1261007 19.5391297 ] [ 15.5862186 23.1494233 -13.8633175 ] [ 13.7251362 13.1807011 19.7777149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.692511484171197e-08 -2.222834048654325e-08 -4.268574228228777e-08 ] [ -4.007940098374839e-08 -1.880317205871136e-08 3.396491901628041e-08 ] [ -3.589818847990431e-08 5.422905200865212e-08 -1.704799862564364e-08 ] [ 1.967213081381571e-08 -8.717891443008962e-09 -1.501222430508589e-08 ] [ 3.626860626723276e-08 -6.268692380460652e-08 3.130513679611892e-08 ] [ 2.497187504759811e-08 3.708946479626278e-08 -2.221148318522751e-08 ] [ 2.199009233693575e-08 2.111781114817284e-08 3.168739242562781e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.138615 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.02765012322922e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1245855 3.240865 2.495709 ] [ 2.0251201 1.3025471 3.514698 ] [ 2.8202734 4.8678607 2.7624513 ] [ 5.4360835 2.2496561 2.3018509 ] [ 4.1560401 1.9927384 4.2739289 ] [ 4.5355557 4.187975 1.2828618 ] [ 3.7357106 4.2463217 4.8516481 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1245855e-10 3.240865e-10 2.495709e-10 ] [ 2.0251201e-10 1.3025471e-10 3.514698e-10 ] [ 2.8202734e-10 4.8678607e-10 2.7624513e-10 ] [ 5.436083499999999e-10 2.2496561e-10 2.3018509e-10 ] [ 4.1560401e-10 1.9927384e-10 4.2739289e-10 ] [ 4.5355557e-10 4.187975e-10 1.2828618e-10 ] [ 3.7357106e-10 4.2463217e-10 4.8516481e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.55e-05 -3.7e-06 -1.1e-06 ] [ -1.38e-05 4.2e-06 -8.1e-06 ] [ -8e-07 -1.41e-05 9.7e-06 ] [ 1.03e-05 8e-06 -9.9e-06 ] [ -1.09e-05 -8.1e-06 2.15e-05 ] [ -9.9e-06 4.2e-06 -1.1e-06 ] [ 9.6e-06 9.7e-06 -1.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.48337376224e-14 -5.928053496960001e-15 -1.76239428288e-15 ] [ -2.211003736704e-14 6.72914180736e-15 -1.297763062848e-14 ] [ -1.28174129664e-15 -2.259069035328e-14 1.554111322176e-14 ] [ 1.650241919424e-14 1.28174129664e-14 -1.586154854592e-14 ] [ -1.746372516672e-14 -1.297763062848e-14 3.44467973472e-14 ] [ -1.586154854592e-14 6.72914180736e-15 -1.76239428288e-15 ] [ 1.538089555968e-14 1.554111322176e-14 -1.76239428288e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }