{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.31274240000000003 -0.04928940000000001 -0.6103344000000002 ] [ -1.2525194000000002 -0.5103946000000001 0.7527359000000002 ] [ 0.36325330000000006 -1.1082342000000003 -0.28921810000000003 ] [ -0.8177147000000002 -0.6449537000000001 1.4513288000000002 ] [ 0.5340092000000001 0.7440029000000001 -1.0874977000000001 ] [ -0.06972430000000002 0.9583471000000002 1.5349853000000004 ] [ 1.1169420000000003 0.34083110000000005 -0.8550257000000002 ] [ -0.18698840000000003 0.26969080000000006 -0.8969742000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.010685616128819e-10 -7.897032433325955e-11 -9.778635065499958e-10 ] [ -2.006757299778444e-09 -8.17742295502568e-10 1.206015860616847e-09 ] [ 5.819959446884487e-10 -1.775586925610992e-09 -4.633784781321965e-10 ] [ -1.310123374824486e-09 -1.033329739638457e-09 2.32528507245372e-09 ] [ 8.555770555321115e-10 1.1920240521874e-09 -1.742363390113772e-09 ] [ -1.117106433616455e-10 1.53544131823148e-09 2.459317560931675e-09 ] [ 1.789538359189594e-09 5.460716200615469e-10 -1.369902186723155e-09 ] [ -2.995884428407988e-10 4.320922946048488e-10 -1.437111092700784e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.466069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.759678713387964e-18 } }