{ "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" [ [ 0.825202 0.325202 0 ] [ 0.325202 0.174798 0 ] [ 0.674798 0.825202 0 ] [ 0.174798 0.674798 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.622205 0.122205 0 ] [ 0.122205 0.377795 0 ] [ 0.877795 0.622205 0 ] [ 0.377795 0.877795 0 ] [ 0.071512 0.22278 0.5 ] [ 0.22278 0.928488 0.5 ] [ 0.77722 0.071512 0.5 ] [ 0.928488 0.77722 0.5 ] [ 0.428488 0.72278 0.5 ] [ 0.571512 0.27722 0.5 ] [ 0.72278 0.571512 0.5 ] [ 0.27722 0.428488 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" 9.52679159 "source-unit" "angstrom" } "c" { "source-value" 3.11500448 "source-unit" "angstrom" } }