{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.710763 0.801147 0.017092 ] [ 0.198853 0.710763 0.982908 ] [ 0 0 0.243513 ] [ 0 0 0.756487 ] [ 0.801147 0.289237 0.982908 ] [ 0.289237 0.198853 0.017092 ] [ 0.210763 0.301147 0.517092 ] [ 0.698853 0.210763 0.482908 ] [ 0.5 0.5 0.743513 ] [ 0.5 0.5 0.256487 ] [ 0.301147 0.789237 0.482908 ] [ 0.789237 0.698853 0.517092 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "Ni" "Ni" "Ru" "Ru" "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" 5.63556990685 "source-unit" "angstrom" } "c" { "source-value" 8.10719638855 "source-unit" "angstrom" } }