{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.119931 0.75 ] [ 0 0.880069 0.25 ] [ 0.5 0.619931 0.75 ] [ 0.5 0.380069 0.25 ] [ 0.5 0.185208 0.448773 ] [ 0 0.929795 0.75 ] [ 0.5 0 0 ] [ 0.5 0.814792 0.551227 ] [ 0.5 0 0.5 ] [ 0.5 0.814792 0.948773 ] [ 0.5 0.185208 0.051227 ] [ 0 0.070205 0.25 ] [ 0 0.685208 0.448773 ] [ 0.5 0.429795 0.75 ] [ 0 0.5 0 ] [ 0 0.314792 0.551227 ] [ 0 0.5 0.5 ] [ 0 0.314792 0.948773 ] [ 0 0.685208 0.051227 ] [ 0.5 0.570205 0.25 ] [ 0 0.224555 0.25 ] [ 0 0.775445 0.75 ] [ 0.5 0.724555 0.25 ] [ 0.5 0.275445 0.75 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.08689523749 "source-unit" "angstrom" } "b" { "source-value" 15.2364657075 "source-unit" "angstrom" } "c" { "source-value" 6.61744323 "source-unit" "angstrom" } }