{ "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" [ [ -1.0368374 0.0357342 0.3168236 ] [ -0.60691 1.0793743 -2.3394554 ] [ -1.364078 0.5432599 0.1287787 ] [ 2.4567897 0.6392193 0.1551229 ] [ 0.5552988 -2.5989726 1.8789714 ] [ -0.1091389 0.6797364 1.2364485 ] [ -0.4866823 -0.3683512 -1.2513212 ] [ 0.591558 -0.0100003 -0.1253684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.661196641851058e-09 5.725249980299136e-11 5.076073648376908e-10 ] [ -9.72377012929728e-10 1.729348268552365e-09 -3.748220747284312e-09 ] [ -2.185493880547623e-09 8.703983107981459e-10 2.063262223970169e-10 ] [ 3.936211019562246e-09 1.024142218024141e-09 2.485342837306963e-10 ] [ 8.896867549182951e-10 -4.16401313781979e-09 3.010444048231845e-09 ] [ -1.748597939998291e-10 1.089057768386757e-09 1.981008879523229e-09 ] [ -7.797510028171718e-10 -5.901636808836249e-10 -2.004837571751401e-09 ] [ 9.477803974472064e-10 -1.602224686098624e-11 -2.008623194671027e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.265679 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.810402303123753e-18 } }