{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.525995 0.785713 ] [ 0.25 0.974005 0.285713 ] [ 0.75 0.025995 0.714287 ] [ 0.25 0.474005 0.214287 ] [ 0.75 0.188455 0.050721 ] [ 0.25 0.311545 0.550721 ] [ 0.75 0.688455 0.449279 ] [ 0.25 0.811545 0.949279 ] [ 0.75 0.72983 0.141817 ] [ 0.25 0.77017 0.641817 ] [ 0.75 0.22983 0.358183 ] [ 0.25 0.27017 0.858183 ] [ 0.75 0.3136 0.538357 ] [ 0.25 0.1864 0.038357 ] [ 0.75 0.8136 0.961643 ] [ 0.25 0.6864 0.461643 ] [ 0.75 0.965788 0.258183 ] [ 0.25 0.534212 0.758183 ] [ 0.75 0.465788 0.241817 ] [ 0.25 0.034212 0.741817 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Re" "Re" "Re" "Re" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.36437684 "source-unit" "angstrom" } "b" { "source-value" 6.71302459 "source-unit" "angstrom" } "c" { "source-value" 10.22101859 "source-unit" "angstrom" } }