{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5114103 -0.5446988 -2.2294577 ] [ -0.2639425 -0.019315 0.9408716 ] [ -0.0658436 -0.669847 -1.4522714 ] [ -2.0119758 -1.6065923 5.5532396 ] [ 2.3374615 1.3610156 -3.4389888 ] [ -1.0085338 0.6319353 2.9631708 ] [ 0.5302148 -0.2067239 -3.311582 ] [ -0.028791 1.0542261 0.9750178 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.193696262963143e-10 -8.727036827378152e-10 -3.57198500400254e-09 ] [ -4.22882502735504e-10 -3.0946041430752e-11 1.507442480694689e-09 ] [ -1.054930765493069e-10 -1.073213202913017e-09 -2.326795284136485e-09 ] [ -3.223540588375377e-09 -2.5740446222173e-09 8.897270656820746e-09 ] [ 3.745026167320099e-09 2.180587374864085e-09 -5.509867454553047e-09 ] [ -1.615849275646583e-09 1.012471963518234e-09 4.747522979197232e-09 ] [ 8.494977565621479e-10 -3.312081995405971e-10 -5.305739258262106e-09 ] [ -4.61282670894528e-11 1.689056410457163e-09 1.56215072402385e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.375655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.667804738648663e-18 } }