{ "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 0.529487 0.784229 ] [ 0.25 0.970513 0.284229 ] [ 0.75 0.029487 0.715771 ] [ 0.25 0.470513 0.215771 ] [ 0.75 0.183573 0.053597 ] [ 0.25 0.316427 0.553597 ] [ 0.75 0.683573 0.446403 ] [ 0.25 0.816427 0.946403 ] [ 0.75 0.723938 0.136337 ] [ 0.25 0.776062 0.636337 ] [ 0.75 0.223938 0.363663 ] [ 0.25 0.276062 0.863663 ] [ 0.75 0.958493 0.258703 ] [ 0.25 0.541507 0.758703 ] [ 0.75 0.458493 0.241297 ] [ 0.25 0.041507 0.741297 ] [ 0.75 0.320488 0.547025 ] [ 0.25 0.179512 0.047025 ] [ 0.75 0.820488 0.952975 ] [ 0.25 0.679512 0.452975 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "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" 5.19350019 "source-unit" "angstrom" } "b" { "source-value" 6.60652814 "source-unit" "angstrom" } "c" { "source-value" 9.95022528 "source-unit" "angstrom" } }