{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4933572000000001 0.4445144000000001 2.1885121000000005 ] [ -1.7657745000000005 -0.8385769000000002 0.15532480000000004 ] [ -0.035092700000000004 -0.44303160000000014 -0.6545045000000002 ] [ 1.2591616000000003 0.3836689000000001 -0.18375960000000002 ] [ -1.7476962000000005 -0.6233174000000001 0.17837060000000002 ] [ 1.4723600000000001 -0.4273516000000001 0.19590950000000004 ] [ -0.5149305000000001 0.4861346000000001 -1.2282633000000003 ] [ 1.8253294000000004 1.0179596000000002 -0.6515896000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.904453780556649e-10 7.121905851565297e-10 3.506382949846272e-09 ] [ -2.829082644813033e-09 -1.343548314992155e-09 2.488577652407232e-10 ] [ -5.622470396397181e-11 -7.098148776436346e-10 -1.048631816747853e-09 ] [ 2.017399293950055e-09 6.147053467724827e-10 -2.944153373931864e-10 ] [ -2.800118014970592e-09 -9.986645738456318e-10 2.857812075125604e-10 ] [ 2.35898078883624e-09 -6.846927480225145e-10 3.13881623278623e-10 ] [ -8.25009615233937e-10 7.788734970989365e-10 -1.967894759659732e-09 ] [ 2.92450011403324e-09 1.630951085475987e-09 -1.043961632077406e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.89890629230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.591421221368421e-18 } }