{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5048e-10 0.0 0.0 ] "source-value" [ 5.5048 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] "source-value" [ 0.0192448 5.36034 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] "source-value" [ 0.190348 0.0157222 5.58687 ] } "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" [ [ 3.712233617333875e-10 5.902328949136436e-10 -3.026889750373709e-10 ] [ -3.746925547704058e-10 3.87392207755177e-10 -4.103844035696294e-10 ] [ -5.997001565659508e-10 -4.351224912477676e-10 4.528968784612609e-11 ] [ 2.592895351684646e-10 -1.176513540539098e-10 7.193274750462931e-10 ] [ 6.069972699853844e-10 1.102542648133382e-10 -1.230643077672825e-10 ] [ 3.291598167309043e-10 -1.038739168563264e-10 -1.583669878653139e-10 ] [ -3.479313986731834e-10 1.262353357351699e-10 4.55594943890688e-11 ] [ -2.44345873608601e-10 -5.574671012769869e-10 1.843281771757709e-10 ] ] "source-value" [ [ 0.2316994 0.3683944 -0.1889236 ] [ -0.2338647 0.2417912 -0.2561418 ] [ -0.3743034 -0.2715821 0.0282676 ] [ 0.1618358 -0.0734322 0.4489689 ] [ 0.3788579 0.0688153 -0.0768107 ] [ 0.2054454 -0.064833 -0.0988449 ] [ -0.2171617 0.0787899 0.028436 ] [ -0.1525087 -0.3479436 0.1150486 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.13409e-12 -6.87251e-12 -7.641280000000001e-12 ] [ 1.39555e-10 1.34846e-10 1.39039e-10 ] [ 1.52538e-11 2.8802e-10 2.74744e-10 ] [ 1.52254e-10 4.15487e-10 3.864390000000001e-10 ] [ 2.76536e-10 1.71046e-12 2.52424e-10 ] [ 4.13989e-10 1.28016e-10 4.0502e-10 ] [ 2.78466e-10 2.66896e-10 -1.7742e-11 ] [ 4.2307e-10 4.058290000000001e-10 1.13615e-10 ] ] "source-value" [ [ -0.0113409 -0.0687251 -0.0764128 ] [ 1.39555 1.34846 1.39039 ] [ 0.152538 2.8802 2.74744 ] [ 1.52254 4.15487 3.86439 ] [ 2.76536 0.0171046 2.52424 ] [ 4.13989 1.28016 4.0502 ] [ 2.78466 2.66896 -0.17742 ] [ 4.2307 4.05829 1.13615 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.718285018261916e-18 "source-value" 29.449219 } }