{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07144e-09 0.0 0.0 ] "source-value" [ 10.7144 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.09399e-10 9.66634e-10 0.0 ] "source-value" [ -5.09399 9.66634 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.84924e-12 -6.11089e-12 1.07553e-09 ] "source-value" [ -0.0584924 -0.0611089 10.7553 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 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[ 0.9466859 -10.4186596 48.1125776 ] [ 0.2916879 0.3893155 1.5334898 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.38471e-12 2.72297e-12 -1.8026000000000003e-11 ] [ -6.3454e-12 -5.00934e-12 2.8757e-10 ] [ -1.1774300000000001e-11 -1.53794e-11 5.34906e-10 ] [ -3.08272e-11 -9.401090000000001e-13 7.68584e-10 ] [ -1.4608200000000002e-10 2.1732200000000002e-10 1.54735e-11 ] [ -1.43053e-10 2.2519999999999998e-10 2.9372500000000004e-10 ] [ -1.52004e-10 2.12235e-10 5.703909999999999e-10 ] [ -1.38217e-10 2.4539100000000003e-10 7.73711e-10 ] [ -2.32386e-10 4.34974e-10 -3.4135300000000003e-12 ] [ -2.14732e-10 4.59913e-10 2.8545600000000003e-10 ] [ -2.58803e-10 4.49203e-10 5.223980000000001e-10 ] [ -2.53205e-10 4.45019e-10 7.97976e-10 ] [ -3.6333700000000003e-10 7.17929e-10 -4.910280000000001e-12 ] [ -3.89229e-10 6.71793e-10 2.89818e-10 ] [ -3.66413e-10 7.020150000000001e-10 5.09652e-10 ] [ -3.9278800000000003e-10 6.93366e-10 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2.22172 4.97661 ] [ 6.61546 2.04155 7.94854 ] [ 5.60831 4.89949 0.273056 ] [ 5.31426 4.44385 2.78226 ] [ 5.2365 4.38736 5.62938 ] [ 5.34171 4.237 7.77426 ] [ 3.76471 6.57935 0.297265 ] [ 3.95924 6.9387 3.15334 ] [ 3.93889 6.54727 5.0212 ] [ 3.94816 6.64802 7.82443 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.192325060837006e-17 "source-value" -199.24926 } }