{ "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" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.563444600000001 -0.4865075000000001 -2.7240102000000004 ] [ 0.20697210000000005 1.0543221000000003 -0.06650550000000001 ] [ -0.4223404000000001 -0.6927776000000001 0.18169040000000003 ] [ -0.021041600000000004 1.5446069000000004 1.7101364000000003 ] [ 3.031787300000001 -0.5450745000000001 0.2825326000000001 ] [ -2.1588844000000003 -2.0723152000000002 -1.3936723000000002 ] [ -3.094308700000001 1.3433616000000002 0.7743875000000002 ] [ -1.1056289000000001 -0.14561570000000001 1.2354411000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.709267627636009e-09 -7.794709423438561e-10 -4.364345457260733e-09 ] [ 3.316058597778797e-10 1.68921021941276e-09 -1.065535572546144e-10 ] [ -6.766639148993205e-10 -1.109952074133934e-09 2.911001111038003e-10 ] [ -3.371235958422529e-11 2.474733063506364e-09 2.739940558459077e-09 ] [ 4.857458731298357e-09 -8.733056204942498e-10 4.526671263338382e-10 ] [ -3.458914112689836e-09 -3.320214964368477e-09 -2.232909176116564e-09 ] [ -4.957629056678042e-09 2.152302548800481e-09 1.24070554793976e-09 ] [ -1.771412774860821e-09 -2.333020701614265e-10 1.979394846795435e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.38994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.498992560859147e-17 } }