{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7838627 -0.3883044 0.2269206 ] [ -0.0288034 1.3775253 -2.6881304 ] [ -1.9906494 0.6776205 0.5519099 ] [ 3.7246311 1.0218183 0.2527876 ] [ 0.1328815 -3.3215316 2.316069 ] [ -0.0793785 1.1692491 1.5887532 ] [ -0.7776453 -0.5046366 -1.7363145 ] [ 0.8028267 -0.0317406 -0.5119955 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.858063112657164e-09 -6.221322314337715e-10 3.635668800979085e-10 ] [ -4.614813407955072e-11 2.207038830220507e-09 -4.306859680541752e-09 ] [ -3.189371928889547e-09 1.085667722874806e-09 8.842571385680659e-10 ] [ 5.967516869524587e-09 1.637133390965601e-09 4.050103827481421e-10 ] [ 2.128996326368352e-10 -5.321680274768417e-09 3.710751603959636e-09 ] [ -1.271783768941728e-10 1.873343571911441e-09 2.545463233261187e-09 ] [ -1.245925118935002e-09 -8.085169625200013e-10 -2.781882498256041e-09 ] [ 1.286270169294015e-09 -5.085404725016449e-11 -8.203072200548065e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.625077 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.38733122419998e-18 } }