{ "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 0.856781 ] [ 0 0 0.143219 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.643219 ] [ 0.5 0.5 0.356781 ] [ 0.213652 0.786348 0 ] [ 0.286348 0.286348 0.5 ] [ 0.713652 0.713652 0.5 ] [ 0.786348 0.213652 0 ] [ 0.193587 0.806413 0.327589 ] [ 0.193587 0.806413 0.672411 ] [ 0.306413 0.306413 0.827589 ] [ 0.306413 0.306413 0.172411 ] [ 0.693587 0.693587 0.827589 ] [ 0.693587 0.693587 0.172411 ] [ 0.806413 0.193587 0.672411 ] [ 0.806413 0.193587 0.327589 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" "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" 4.74472767 "source-unit" "angstrom" } "c" { "source-value" 9.41868495 "source-unit" "angstrom" } }