{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.176319 0.676319 0 ] [ 0.323681 0.176319 0 ] [ 0.676319 0.823681 0 ] [ 0.823681 0.323681 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.125425 0.374575 0 ] [ 0.374575 0.874575 0 ] [ 0.625425 0.125425 0 ] [ 0.874575 0.625425 0 ] [ 0 0.5 0.5 ] [ 0.071273 0.213617 0.5 ] [ 0.213617 0.928727 0.5 ] [ 0.286383 0.428727 0.5 ] [ 0.428727 0.713617 0.5 ] [ 0.5 0 0.5 ] [ 0.571273 0.286383 0.5 ] [ 0.713617 0.571273 0.5 ] [ 0.786383 0.071273 0.5 ] [ 0.928727 0.786383 0.5 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Al" "Al" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.48307501 "source-unit" "angstrom" } "c" { "source-value" 2.92726612 "source-unit" "angstrom" } }