{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.236488 0.763512 0 ] [ 0.763512 0.236488 0 ] [ 0.763512 0.763512 0 ] [ 0.236488 0.236488 0 ] [ 0.736488 0.263512 0.5 ] [ 0.263512 0.736488 0.5 ] [ 0.263512 0.263512 0.5 ] [ 0.736488 0.736488 0.5 ] [ 0 0 0.800151 ] [ 0 0 0.199849 ] [ 0.5 0.5 0.300151 ] [ 0.5 0.5 0.699849 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Os" "Os" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.22629496637 "source-unit" "angstrom" } "c" { "source-value" 8.78826236936 "source-unit" "angstrom" } }