{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.192592 ] [ 0.5 0 0.41466 ] [ 0 0.5 0.58534 ] [ 0 0.5 0.807408 ] [ 0 0.5 0.313348 ] [ 0.5 0 0.686652 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.090947 ] [ 0.5 0 0.909053 ] [ 0.5 0.5 0.293933 ] [ 0 0 0.293933 ] [ 0 0.5 0.427481 ] [ 0.5 0 0.572519 ] [ 0.5 0.5 0.706067 ] [ 0 0 0.706067 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sc" "Sc" "Fe" "Fe" "As" "As" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22230088 "source-unit" "angstrom" } "c" { "source-value" 17.23194611 "source-unit" "angstrom" } }