{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.169949 0.830051 0.2368 ] [ 0.830051 0.169949 0.2368 ] [ 0.169949 0.169949 0.7632 ] [ 0.830051 0.830051 0.7632 ] [ 0.669949 0.330051 0.7368 ] [ 0.330051 0.669949 0.7368 ] [ 0.669949 0.669949 0.2632 ] [ 0.330051 0.330051 0.2632 ] ] } "species" { "source-value" [ "Mn" "Mn" "Tl" "Tl" "Tl" "Tl" "Ge" "Ge" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.61741079181 "source-unit" "angstrom" } "c" { "source-value" 6.98218606255 "source-unit" "angstrom" } }