{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4231593 0.5496372 -1.8306891 ] [ -0.7307735 2.7495361 -1.2908541 ] [ 0.2468067 -0.1797433 -1.8008594 ] [ -0.3803278 -1.0394079 3.2801759 ] [ 0.6245584 0.2398319 -0.0814717 ] [ -1.005952 0.6097564 1.9029193 ] [ 0.2268393 -0.7662352 -1.0710634 ] [ -0.4043104 -2.1633753 0.8918426 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.280152558134094e-09 8.806158717619738e-10 -2.933087275973394e-09 ] [ -1.170828216800189e-09 4.405242457465611e-09 -2.068176259883825e-09 ] [ 3.954279245967993e-10 -2.879805130054406e-10 -2.885294828027916e-09 ] [ -6.093523094002983e-10 -1.665315036854824e-09 5.255421139091599e-09 ] [ 1.000652866804255e-09 3.842530631020435e-10 -1.305320529968314e-10 ] [ -1.611712776047001e-09 9.76937448463173e-10 3.048812813729101e-09 ] [ 3.634366231386374e-10 -1.227644123474012e-09 -1.716032738874559e-09 ] [ -6.477766704262964e-10 -3.466109327676186e-09 1.428889363153486e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.230114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.605792472371878e-18 } }