{ "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" [ [ -1.0291643 0.3663467 0.4934902 ] [ -1.7621893 1.8250655 -3.65588 ] [ -1.6427725 0.7000533 -0.1559552 ] [ 2.8353646 0.7108808 0.430599 ] [ 1.7395511 -3.7977599 2.7553614 ] [ -0.1675035 0.6256694 1.6125875 ] [ -0.6992257 -0.5499941 -1.6460432 ] [ 0.7259395 0.1197383 0.1658402 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.648902994006966e-09 5.869521226830077e-10 7.906584675479867e-10 ] [ -2.823338521144816e-09 2.924077299619526e-09 -5.857365512707919e-09 ] [ -2.632011714477764e-09 1.121609039814592e-09 -2.498677773907968e-10 ] [ 4.542754910990756e-09 1.138956607319227e-09 6.89895656423766e-10 ] [ 2.787068126068997e-09 -6.084682173322176e-09 4.414575653305528e-09 ] [ -2.68370193813219e-10 1.0024328932888e-09 2.583650012780475e-09 ] [ -1.120283078432293e-09 -8.811876958578593e-10 -2.637251953594589e-09 ] [ 1.163083304597643e-09 1.918419064548822e-10 2.657052934178868e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.022004 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.771361311865454e-18 } }