{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.216992 0.914444 0 ] [ 0.085556 0.216992 0 ] [ 0.914444 0.783008 0 ] [ 0.783008 0.085556 0 ] [ 0.914444 0.216992 0.5 ] [ 0.085556 0.783008 0.5 ] [ 0.216992 0.085556 0.5 ] [ 0.783008 0.914444 0.5 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.716992 0.414444 0.5 ] [ 0.585556 0.716992 0.5 ] [ 0.414444 0.283008 0.5 ] [ 0.283008 0.585556 0.5 ] [ 0.414444 0.716992 0 ] [ 0.585556 0.283008 0 ] [ 0.716992 0.585556 0 ] [ 0.283008 0.414444 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.160122 0.339878 0.5 ] [ 0.160122 0.660122 0 ] [ 0.839878 0.339878 0 ] [ 0.839878 0.660122 0.5 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.660122 0.839878 0 ] [ 0.660122 0.160122 0.5 ] [ 0.339878 0.839878 0.5 ] [ 0.339878 0.160122 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Sn" "Sn" "Sn" "Sn" "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" 12.8401018925 "source-unit" "angstrom" } "c" { "source-value" 6.36379767619 "source-unit" "angstrom" } }