{ "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" [ [ 0.825335 0.325335 0 ] [ 0.325335 0.174665 0 ] [ 0.674665 0.825335 0 ] [ 0.174665 0.674665 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.625254 0.125254 0 ] [ 0.125254 0.374746 0 ] [ 0.874746 0.625254 0 ] [ 0.374746 0.874746 0 ] [ 0.072067 0.213616 0.5 ] [ 0.213616 0.927933 0.5 ] [ 0.786384 0.072067 0.5 ] [ 0.927933 0.786384 0.5 ] [ 0.427933 0.713616 0.5 ] [ 0.572067 0.286384 0.5 ] [ 0.713616 0.572067 0.5 ] [ 0.286384 0.427933 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Ge" "Ge" "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" 9.42012054 "source-unit" "angstrom" } "c" { "source-value" 2.93730291 "source-unit" "angstrom" } }