{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.80255 0.69745 0.503109 ] [ 0.30255 0.80255 0.496891 ] [ 0 0.5 0.107531 ] [ 0.5 0 0.892469 ] [ 0.19745 0.30255 0.503109 ] [ 0.69745 0.19745 0.496891 ] ] } "species" { "source-value" [ "Ba" "Ba" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.08797918 "source-unit" "angstrom" } "c" { "source-value" 4.41417635 "source-unit" "angstrom" } }