{ "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" [ [ -1.3404375 -0.1722432 0.2707118 ] [ -0.4221463 1.3165288 -2.6691606 ] [ -1.6990612 0.5900932 0.3148134 ] [ 2.8846861 0.8268839 0.2929786 ] [ 0.5095906 -3.024186 2.1390402 ] [ -0.0036382 0.8924211 1.4074262 ] [ -0.6631834 -0.457211 -1.4460251 ] [ 0.7341899 0.0277133 -0.3097845 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.147617641837375e-09 -2.759640304053888e-10 4.337281205080812e-10 ] [ -6.763529379895542e-10 2.109311681348059e-09 -4.27646674571342e-09 ] [ -2.722196154376e-09 9.454335369222886e-10 5.043866735500956e-10 ] [ 4.621776665844587e-09 1.324814063610792e-09 4.694034671820323e-10 ] [ 8.164541522260403e-10 -4.845280146069923e-09 3.427120227626687e-09 ] [ -5.8290390298188e-12 1.429816234108577e-09 2.254945371719411e-09 ] [ -1.062536947536675e-09 -7.325327810077739e-10 -2.316787627397513e-09 ] [ 1.176301902698796e-09 4.44016017110322e-11 -4.96329487475373e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.078163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.780358975624334e-18 } }