{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.995374 0.010236 0.75 ] [ 0.495374 0.489764 0.75 ] [ 0.504626 0.510236 0.25 ] [ 0.004626 0.989764 0.25 ] [ 0.754949 0.754929 0.452723 ] [ 0.254949 0.745071 0.047277 ] [ 0.745051 0.254929 0.547277 ] [ 0.245051 0.245071 0.952723 ] [ 0.245051 0.245071 0.547277 ] [ 0.745051 0.254929 0.952723 ] [ 0.254949 0.745071 0.452723 ] [ 0.754949 0.754929 0.047277 ] [ 0.503127 0.918068 0.75 ] [ 0.003127 0.581932 0.75 ] [ 0.996873 0.418068 0.25 ] [ 0.496873 0.081932 0.25 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Ba" "Ba" "Ba" "Ba" "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" 6.23532207 "source-unit" "angstrom" } "b" { "source-value" 6.31261918 "source-unit" "angstrom" } "c" { "source-value" 8.86573301 "source-unit" "angstrom" } }