{ "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 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.819753 0.180247 0.760194 ] [ 0.819753 0.819753 0.239806 ] [ 0.180247 0.180247 0.239806 ] [ 0.180247 0.819753 0.760194 ] [ 0.319753 0.680247 0.260194 ] [ 0.319753 0.319753 0.739806 ] [ 0.680247 0.680247 0.739806 ] [ 0.680247 0.319753 0.260194 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cd" "Cd" "Sn" "Sn" "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" 8.67201911036 "source-unit" "angstrom" } "c" { "source-value" 7.30182218478 "source-unit" "angstrom" } }