{ "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" [ [ 0.678713 0.178713 0.5 ] [ 0.178713 0.321287 0.5 ] [ 0.821287 0.678713 0.5 ] [ 0.321287 0.821287 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.38336 0.11664 0 ] [ 0.88336 0.38336 0 ] [ 0.11664 0.61664 0 ] [ 0.61664 0.88336 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "In" "In" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.86827446 "source-unit" "angstrom" } "c" { "source-value" 3.96005983 "source-unit" "angstrom" } }