{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.588272 0.147685 0.5 ] [ 0.411728 0.852315 0.5 ] [ 0.147685 0.588272 0.5 ] [ 0.852315 0.411728 0.5 ] [ 0.088272 0.352315 0 ] [ 0.911728 0.647685 0 ] [ 0.647685 0.911728 0 ] [ 0.352315 0.088272 0 ] [ 0.217268 0.782732 0 ] [ 0.282732 0.282732 0.5 ] [ 0.717268 0.717268 0.5 ] [ 0.782732 0.217268 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.91779419 "source-unit" "angstrom" } "c" { "source-value" 3.72727057 "source-unit" "angstrom" } }