{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.033924 0.033924 0 ] [ 0.466076 0.533924 0.25 ] [ 0.966076 0.966076 0.5 ] [ 0.533924 0.466076 0.75 ] [ 0.179968 0.820032 0.25 ] [ 0.679968 0.679968 0.5 ] [ 0.820032 0.179968 0.75 ] [ 0.320032 0.320032 0 ] [ 0.793742 0.206258 0.25 ] [ 0.293742 0.293742 0.5 ] [ 0.206258 0.793742 0.75 ] [ 0.706258 0.706258 0 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.76494575 "source-unit" "angstrom" } "c" { "source-value" 6.11822477 "source-unit" "angstrom" } }