{ "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" [ [ 7.111663077752622e-10 2.238763048835981e-09 5.484361123185235e-10 ] [ -1.79960483489808e-09 5.437675298631744e-11 -3.078497942159284e-09 ] [ 2.699566188267903e-09 2.955453180946775e-09 -2.736766806790934e-09 ] [ -1.075184200591926e-09 -2.861879176932586e-09 3.16635698216708e-09 ] [ -2.190056879563661e-10 2.862205219874918e-09 2.411632939472776e-09 ] [ -3.826324614501043e-10 -4.224229984806586e-09 2.226363483532286e-09 ] [ -2.827460898329236e-09 5.00173425534841e-10 -1.327782725756606e-09 ] [ 2.893155587182547e-09 -1.524862466439661e-09 -1.209742042783841e-09 ] ] "source-value" [ [ 0.4438751 1.397326 0.3423069 ] [ -1.123225 0.0339393 -1.9214473 ] [ 1.6849367 1.8446488 -1.7081555 ] [ -0.6710772 -1.7862445 1.9762846 ] [ -0.1366926 1.786448 1.5052229 ] [ -0.2388204 -2.636557 1.3895868 ] [ -1.7647623 0.3121837 -0.8287368 ] [ 1.8057657 -0.9517443 -0.7550616 ] ] } "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" -5.784427174876695e-18 "source-value" -36.103555 } }