{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46497e-10 0.0 0.0 ] "source-value" [ 5.46497 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] "source-value" [ 0.00264453 5.45437 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] "source-value" [ -0.00434361 0.134648 5.52148 ] } "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" [ [ 7.501700158673414e-10 -7.777961871221338e-10 -2.798794273576896e-09 ] [ -2.50790789283431e-10 -1.3065750342624e-12 1.103438585299734e-09 ] [ -6.519625170657984e-11 -7.568011044655085e-10 -1.746470089228207e-09 ] [ -1.926146026150161e-09 -1.371000799232037e-09 6.556785414330171e-09 ] [ 2.220962706361231e-09 1.063001570002687e-09 -3.796639005417875e-09 ] [ -1.350858074537677e-09 9.533644636236807e-10 3.666559727534082e-09 ] [ 6.769912395829497e-10 -3.441573114252269e-10 -4.168555148322096e-09 ] [ -5.513282013367297e-11 1.234695783435139e-09 1.183674949598749e-09 ] ] "source-value" [ [ 0.4682193 -0.4854622 -1.74687 ] [ -0.1565313 -0.0008155 0.6887122 ] [ -0.0406923 -0.4723581 -1.0900609 ] [ -1.2022058 -0.8557114 4.0924236 ] [ 1.3862159 0.6634734 -2.3696757 ] [ -0.8431393 0.5950433 2.2884866 ] [ 0.4225447 -0.2148061 -2.6018075 ] [ -0.0344112 0.7706365 0.7387918 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.228393881626383e-18 "source-value" -26.391559 } }