{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.740934 0.757897 0 ] [ 0.242103 0.740934 0 ] [ 0.757897 0.259066 0 ] [ 0.259066 0.242103 0 ] [ 0.5 0.5 0.782617 ] [ 0.5 0.5 0.217383 ] [ 0.240934 0.257897 0.5 ] [ 0.742103 0.240934 0.5 ] [ 0.257897 0.759066 0.5 ] [ 0.759066 0.742103 0.5 ] [ 0 0 0.282617 ] [ 0 0 0.717383 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Te" "Te" "O" "O" "O" "O" "O" "O" "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" 5.64836961635 "source-unit" "angstrom" } "c" { "source-value" 8.92818128353 "source-unit" "angstrom" } }