{ "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 0.5 0.853736 ] [ 0.5 0.5 0.146264 ] [ 0 0 0.353736 ] [ 0 0 0.646264 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.158897 ] [ 0 0 0.841103 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.658897 ] [ 0.5 0.5 0.341103 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mn" "Mn" "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" 4.25020171353 "source-unit" "angstrom" } "c" { "source-value" 13.4595839118 "source-unit" "angstrom" } }