{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1031531 0.1464599 -0.0043289 ] [ -0.2101564 0.0036292 -0.201612 ] [ 0.1843488 0.0870836 -0.0934237 ] [ -0.0485476 -0.1256526 0.1874659 ] [ 0.0473965 0.1419202 0.0918615 ] [ -0.0769751 -0.2241265 0.1854351 ] [ -0.2675309 -0.0065925 -0.0477649 ] [ 0.2683116 -0.0227213 -0.117633 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.652694851830445e-10 2.346546276647059e-10 -6.93566237378112e-12 ] [ -3.367076707914931e-10 5.81461939220736e-12 -3.230180328727296e-10 ] [ 2.95359337432535e-10 1.395233079750989e-10 -1.49681267968633e-10 ] [ -7.778182971595009e-11 -2.013176580627341e-10 3.003534821772307e-10 ] [ 7.59375642077472e-11 2.273812264592602e-10 1.471783476516192e-10 ] [ -1.233277056037421e-10 -3.590902384017312e-10 2.9709978189571e-10 ] [ -4.286317533215828e-10 -1.0562349372624e-11 -7.652780607484993e-11 ] [ 4.298825726094413e-10 -3.640353565418304e-11 -1.884688424345664e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 31.504267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.047540004284096e-18 } }