{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.896011 0.962622 0.250058 ] [ 0.603989 0.462622 0.249942 ] [ 0.103989 0.037378 0.749942 ] [ 0.396011 0.537378 0.750058 ] [ 0.604149 0.211976 0.749978 ] [ 0.895851 0.711976 0.750022 ] [ 0.395851 0.788024 0.250022 ] [ 0.104149 0.288024 0.249978 ] [ 0.99999 0.374636 0.750074 ] [ 0.50001 0.874636 0.749926 ] [ 0.00001 0.625364 0.249926 ] [ 0.49999 0.125364 0.250074 ] [ 0.260563 0.016967 0.37342 ] [ 0.239437 0.516967 0.12658 ] [ 0.739437 0.983033 0.62658 ] [ 0.760563 0.483033 0.87342 ] [ 0.739455 0.23351 0.126646 ] [ 0.760545 0.73351 0.373354 ] [ 0.260545 0.76649 0.873354 ] [ 0.239455 0.26649 0.626646 ] [ 0.316927 0.516901 0.373382 ] [ 0.183073 0.016901 0.126618 ] [ 0.683073 0.483099 0.626618 ] [ 0.816927 0.983099 0.873382 ] [ 0.682773 0.734013 0.126623 ] [ 0.817227 0.234013 0.373377 ] [ 0.317227 0.265987 0.873377 ] [ 0.182773 0.765987 0.626623 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Si" "Si" "Si" "Si" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.40375547973 "source-unit" "angstrom" } "b" { "source-value" 7.96872176 "source-unit" "angstrom" } "c" { "source-value" 15.4685948889 "source-unit" "angstrom" } "beta" { "source-value" 97.4754917724 "source-unit" "degree" } }