{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2436181 -0.0941577 -1.6313735 ] [ 0.4046593 0.1098817 -0.0985411 ] [ 0.3441041 1.9680007 -2.6049805 ] [ -0.3928654 -0.1716467 2.7571923 ] [ 0.6520425 0.0473554 -1.5728323 ] [ -1.1906908 -1.5538227 3.5714066 ] [ -0.4006549 -0.1623495 -1.3634693 ] [ 0.8270233 -0.1432612 0.9425978 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.903192242237165e-10 -1.508572656083002e-10 -2.613748481492669e-09 ] [ 6.483356698492934e-10 1.760498907937594e-10 -1.578802466079149e-10 ] [ 5.513155441414253e-10 3.153084711258035e-09 -4.173638854739894e-09 ] [ -6.294397590012403e-10 -2.750083297774714e-10 4.41750904210978e-09 ] [ 1.044687249267984e-09 7.587171474863232e-11 -2.519955139499092e-09 ] [ -1.907696962361649e-09 -2.489498402808332e-09 5.722024157890818e-09 ] [ -6.419199137889619e-10 -2.601125732985696e-10 -2.184518635638542e-09 ] [ 1.325037396116865e-09 -2.29529745307753e-10 1.510208157977514e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.828585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.740372124334556e-18 } }