{ "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 0.5 0.379786 ] [ 0.5 0 0.620214 ] [ 0 0.5 0.87115 ] [ 0.5 0 0.12885 ] [ 0 0 0.747678 ] [ 0.5 0.5 0.747678 ] [ 0 0 0.252322 ] [ 0.5 0.5 0.252322 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.434486 ] [ 0 0.5 0.565514 ] [ 0.5 0 0.318244 ] [ 0 0.5 0.681756 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.814886 ] [ 0 0.5 0.185114 ] [ 0.5 0 0.934055 ] [ 0 0.5 0.065945 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.94840027 "source-unit" "angstrom" } "c" { "source-value" 24.4881644 "source-unit" "angstrom" } }