{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.107979 0.5 ] [ 0 0.892021 0.5 ] [ 0.5 0.783915 0 ] [ 0.5 0.216085 0 ] [ 0.5 0 0 ] [ 0.5 0.607979 0.5 ] [ 0.5 0.392021 0.5 ] [ 0 0.283915 0 ] [ 0 0.716085 0 ] [ 0 0.5 0 ] [ 0.5 0.945142 0.5 ] [ 0.5 0.054858 0.5 ] [ 0.5 0.835656 0.5 ] [ 0.5 0.164344 0.5 ] [ 0 0.228179 0.5 ] [ 0 0 0.5 ] [ 0 0.945389 0 ] [ 0 0.054611 0 ] [ 0 0.835045 0 ] [ 0 0.164955 0 ] [ 0.5 0.111893 0 ] [ 0.5 0.888107 0 ] [ 0 0.771821 0.5 ] [ 0 0.445142 0.5 ] [ 0 0.554858 0.5 ] [ 0 0.335656 0.5 ] [ 0 0.664344 0.5 ] [ 0.5 0.728179 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.445389 0 ] [ 0.5 0.554611 0 ] [ 0.5 0.335045 0 ] [ 0.5 0.664955 0 ] [ 0 0.611893 0 ] [ 0 0.388107 0 ] [ 0.5 0.271821 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.8057329655 "source-unit" "angstrom" } "b" { "source-value" 40.8021901466 "source-unit" "angstrom" } "c" { "source-value" 3.79071793 "source-unit" "angstrom" } }