{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.88866 ] [ 0.5 0.5 0.11134 ] [ 0 0 0.38866 ] [ 0 0 0.61134 ] [ 0 0.5 0.089912 ] [ 0.5 0.5 0 ] [ 0.5 0 0.910088 ] [ 0.5 0.5 0.800861 ] [ 0.5 0 0.088827 ] [ 0.5 0.5 0.199139 ] [ 0 0.5 0.911173 ] [ 0.5 0 0.589912 ] [ 0 0 0.5 ] [ 0 0.5 0.410088 ] [ 0 0 0.300861 ] [ 0 0.5 0.588827 ] [ 0 0 0.699139 ] [ 0.5 0 0.411173 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "Nb" "Nb" "Nb" "Nb" "O" "O" "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" 3.91942726 "source-unit" "angstrom" } "c" { "source-value" 20.64928966 "source-unit" "angstrom" } }