{ "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" [ [ 0.825146 0.325146 0 ] [ 0.325146 0.174854 0 ] [ 0.674854 0.825146 0 ] [ 0.174854 0.674854 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.624659 0.124659 0 ] [ 0.124659 0.375341 0 ] [ 0.875341 0.624659 0 ] [ 0.375341 0.875341 0 ] [ 0.070968 0.21657 0.5 ] [ 0.21657 0.929032 0.5 ] [ 0.78343 0.070968 0.5 ] [ 0.929032 0.78343 0.5 ] [ 0.429032 0.71657 0.5 ] [ 0.570968 0.28343 0.5 ] [ 0.71657 0.570968 0.5 ] [ 0.28343 0.429032 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Ga" "Ga" "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" 9.34747577 "source-unit" "angstrom" } "c" { "source-value" 3.08165793 "source-unit" "angstrom" } }