{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0 ] [ 0.707723 0.707723 0.258046 ] [ 0.207723 0.792277 0.241954 ] [ 0.5 0 0 ] [ 0.792277 0.207723 0.241954 ] [ 0.292277 0.292277 0.258046 ] [ 0.5 0 0.5 ] [ 0.207723 0.207723 0.758046 ] [ 0.707723 0.292277 0.741954 ] [ 0 0.5 0.5 ] [ 0.292277 0.707723 0.741954 ] [ 0.792277 0.792277 0.758046 ] ] } "species" { "source-value" [ "Sr" "Sr" "La" "La" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.48814480813 "source-unit" "angstrom" } "c" { "source-value" 7.96129983834 "source-unit" "angstrom" } }