{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.793588 0.706412 0.5 ] [ 0.293588 0.793588 0.5 ] [ 0.206412 0.293588 0.5 ] [ 0.706412 0.206412 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.085286 0.585286 0.5 ] [ 0.585286 0.914714 0.5 ] [ 0.414714 0.085286 0.5 ] [ 0.914714 0.414714 0.5 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.41604897 "source-unit" "angstrom" } "c" { "source-value" 3.41887581 "source-unit" "angstrom" } }