{ "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" [ [ -0.8827838 -0.011509 0.2547306 ] [ -0.3163871 0.7857487 -1.7287063 ] [ -1.1316499 0.4075198 0.0854689 ] [ 2.119854 0.5968069 0.078935 ] [ 0.1640938 -2.0808716 1.4695858 ] [ -0.0705094 0.6268841 1.0431691 ] [ -0.432491 -0.3549379 -1.095055 ] [ 0.5498734 0.030359 -0.1081282 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.414375565580983e-09 -1.84394507287872e-11 4.081234119223564e-10 ] [ -5.069080147427117e-10 1.258908196963993e-09 -2.769692818089671e-09 ] [ -1.813103012710658e-09 6.529186960730918e-10 1.369362733854931e-10 ] [ 3.396380518309363e-09 9.561900623121235e-10 1.26467811562848e-10 ] [ 2.629072499782311e-10 -3.33392382840669e-09 2.354536011019665e-09 ] [ -1.129685122266355e-10 1.004379048971249e-09 1.671341143560977e-09 ] [ -6.929269689064128e-10 -5.686732052158483e-10 -1.754471519490144e-09 ] [ 8.809943058798067e-10 4.864048003086721e-11 -1.732404740891866e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.615806 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.104104549614836e-18 } }