{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.786998 0.786998 0 ] [ 0.213002 0.786998 0 ] [ 0.5 0 0.91717 ] [ 0.5 0 0.41717 ] [ 0.786998 0.213002 0 ] [ 0.213002 0.213002 0 ] [ 0.286998 0.286998 0.5 ] [ 0.713002 0.286998 0.5 ] [ 0 0.5 0.58283 ] [ 0 0.5 0.08283 ] [ 0.286998 0.713002 0.5 ] [ 0.713002 0.713002 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.748401 0.186423 ] [ 0.248401 0 0.686423 ] [ 0.751599 0 0.686423 ] [ 0.5 0.251599 0.186423 ] [ 0 0.248401 0.313577 ] [ 0.251599 0.5 0.813577 ] [ 0.748401 0.5 0.813577 ] [ 0 0.751599 0.313577 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "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" 7.58983334 "source-unit" "angstrom" } "c" { "source-value" 5.52013952 "source-unit" "angstrom" } }