{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.169335 0.316185 0 ] [ 0.316185 0.830665 0 ] [ 0.683815 0.169335 0 ] [ 0.830665 0.683815 0 ] [ 0.669335 0.816185 0.5 ] [ 0.816185 0.330665 0.5 ] [ 0.183815 0.669335 0.5 ] [ 0.330665 0.183815 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "In" "In" "In" "In" "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" 8.82472992027 "source-unit" "angstrom" } "c" { "source-value" 7.22848213327 "source-unit" "angstrom" } }