{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40034e-10 0.0 0.0 ] "source-value" [ 5.40034 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] "source-value" [ -0.00680429 5.47714 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] "source-value" [ 0.0750519 0.000428382 5.30288 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 7.050886109819194e-10 2.182594902169947e-09 5.279429915971948e-10 ] [ -1.748285996210221e-09 6.120603083247745e-11 -3.032542229491891e-09 ] [ 2.656184212124164e-09 2.883634171960456e-09 -2.672848931810091e-09 ] [ -1.084849331056902e-09 -2.789199638883235e-09 3.121717617811336e-09 ] [ -2.660803607757255e-10 2.808727608408194e-09 2.364767671137756e-09 ] [ -3.398146116945485e-10 -4.11491411484005e-09 2.207366154904136e-09 ] [ -2.765459066369207e-09 4.654561807740499e-10 -1.293159048110469e-09 ] [ 2.843216543000521e-09 -1.497505140421839e-09 -1.223244226037971e-09 ] ] "source-value" [ [ 0.4400817 1.3622686 0.3295161 ] [ -1.0911943 0.0382018 -1.892764 ] [ 1.6578598 1.7998229 -1.6682611 ] [ -0.6771097 -1.7408815 1.9484229 ] [ -0.1660743 1.7530699 1.4759719 ] [ -0.2120956 -2.5683274 1.3777296 ] [ -1.7260638 0.2905149 -0.8071264 ] [ 1.7745962 -0.9346692 -0.763489 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.786000352100659e-18 "source-value" -36.113374 } }