{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.832956 ] [ 0 0 0.332956 ] [ 0.5 0.5 0.167044 ] [ 0 0 0.667044 ] [ 0.691214 0.691214 0.664244 ] [ 0.308786 0.308786 0.664244 ] [ 0.691214 0.691214 0.335756 ] [ 0.191214 0.808786 0.164244 ] [ 0.808786 0.191214 0.164244 ] [ 0.808786 0.191214 0.835756 ] [ 0.302647 0.302647 0 ] [ 0.197353 0.802647 0.5 ] [ 0.802647 0.197353 0.5 ] [ 0.697353 0.697353 0 ] [ 0.308786 0.308786 0.335756 ] [ 0.191214 0.808786 0.835756 ] ] } "species" { "source-value" [ "Mg" "Mg" "Bi" "Bi" "Bi" "Bi" "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" 4.93234806 "source-unit" "angstrom" } "c" { "source-value" 9.93245856 "source-unit" "angstrom" } }