{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.638583 ] [ 0 0.5 0.138583 ] [ 0.5 0 0.361417 ] [ 0 0.5 0.861417 ] [ 0.243789 0.243789 0.75 ] [ 0.756211 0.756211 0.75 ] [ 0.756211 0.243789 0.25 ] [ 0.243789 0.756211 0.25 ] [ 0.756211 0.756211 0.25 ] [ 0.243789 0.243789 0.25 ] [ 0.243789 0.756211 0.75 ] [ 0.756211 0.243789 0.75 ] [ 0.5 0.251326 0.5 ] [ 0.5 0.748674 0.5 ] [ 0.748674 0.5 0 ] [ 0.251326 0.5 0 ] [ 0 0 0.59317 ] [ 0 0 0.09317 ] [ 0 0 0.40683 ] [ 0 0 0.90683 ] [ 0 0 0.75 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Mg" "Mg" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Os" "Os" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.99502645 "source-unit" "angstrom" } "c" { "source-value" 10.87727497 "source-unit" "angstrom" } }