{ "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" [ [ 0.824032 0.324032 0 ] [ 0.324032 0.175968 0 ] [ 0.675968 0.824032 0 ] [ 0.175968 0.675968 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.624477 0.124477 0 ] [ 0.124477 0.375523 0 ] [ 0.875523 0.624477 0 ] [ 0.375523 0.875523 0 ] [ 0.070529 0.218357 0.5 ] [ 0.218357 0.929471 0.5 ] [ 0.781643 0.070529 0.5 ] [ 0.929471 0.781643 0.5 ] [ 0.429471 0.718357 0.5 ] [ 0.570529 0.281643 0.5 ] [ 0.718357 0.570529 0.5 ] [ 0.281643 0.429471 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Mn" "Mn" "B" "B" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.40727854 "source-unit" "angstrom" } "c" { "source-value" 3.06533591 "source-unit" "angstrom" } }