{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] "source-value" [ 5.05932 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] "source-value" [ 0.224512 5.44129 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] "source-value" [ 0.327401 0.688972 5.24092 ] } "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" [ [ 2.974248715429535e-08 2.395199702265023e-08 -6.211333544195338e-09 ] [ -1.402014612733849e-09 -1.631458160939403e-09 6.773238674711941e-09 ] [ 2.846322923141759e-08 2.998063500764639e-08 -3.495034191256266e-08 ] [ -5.305933714438572e-08 4.83406004725344e-08 -3.234977598008828e-08 ] [ 5.545141295471904e-10 1.33275908634081e-09 -6.128742140481408e-10 ] [ -2.865138340636384e-08 -2.851223644967696e-08 2.396271205945481e-08 ] [ 5.053532673564172e-08 -4.3357705250764e-08 3.088702028817731e-08 ] [ -2.618282208741846e-08 -3.010459188800911e-08 1.250135478876802e-08 ] ] "source-value" [ [ 18.5638005 14.9496608 -3.8768095 ] [ -0.8750687 -1.0182761 4.2275231 ] [ 17.7653505 18.7124407 -21.8142878 ] [ -33.1170337 30.1718299 -20.1911422 ] [ 0.3461005 0.8318428 -0.382526 ] [ -17.8827871 -17.7959384 14.9563486 ] [ 31.5416703 -27.0617513 19.2781619 ] [ -16.3420323 -18.7898085 7.802732 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.207355599575053e-19 "source-value" -5.7467794 } }