{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.899034 ] [ 0 0.5 0.100966 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.442878 ] [ 0.5 0 0.557122 ] [ 0 0.802293 0.136246 ] [ 0.5 0.697707 0.863754 ] [ 0 0.197707 0.136246 ] [ 0.697707 0.5 0.136246 ] [ 0.197707 0 0.863754 ] [ 0.802293 0 0.863754 ] [ 0.5 0.302293 0.863754 ] [ 0.302293 0.5 0.136246 ] [ 0 0.5 0.879787 ] [ 0.5 0 0.120213 ] ] } "species" { "source-value" [ "Rb" "Rb" "Nb" "Nb" "As" "As" "Cl" "Cl" "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" 6.78440336 "source-unit" "angstrom" } "c" { "source-value" 7.88618923 "source-unit" "angstrom" } }