{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.189523 0 0.284629 ] [ 0.191758 0 0.787206 ] [ 0.808242 0 0.212794 ] [ 0.810477 0 0.715371 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.689523 0.5 0.284629 ] [ 0.691758 0.5 0.787206 ] [ 0.308242 0.5 0.212794 ] [ 0.310477 0.5 0.715371 ] [ 0.000296 0 0.264409 ] [ 0.999704 0 0.735591 ] [ 0.500296 0.5 0.264409 ] [ 0.499704 0.5 0.735591 ] [ 0.127339 0.339177 0.93998 ] [ 0.127339 0.660823 0.93998 ] [ 0.128279 0.33962 0.443307 ] [ 0.128279 0.66038 0.443307 ] [ 0.871721 0.33962 0.556693 ] [ 0.871721 0.66038 0.556693 ] [ 0.872661 0.339177 0.06002 ] [ 0.872661 0.660823 0.06002 ] [ 0.627339 0.839177 0.93998 ] [ 0.627339 0.160823 0.93998 ] [ 0.628279 0.83962 0.443307 ] [ 0.628279 0.16038 0.443307 ] [ 0.371721 0.83962 0.556693 ] [ 0.371721 0.16038 0.556693 ] [ 0.372661 0.839177 0.06002 ] [ 0.372661 0.160823 0.06002 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Os" "Os" "Os" "Os" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.97945256 "source-unit" "angstrom" } "b" { "source-value" 4.4840099 "source-unit" "angstrom" } "c" { "source-value" 6.71752355 "source-unit" "angstrom" } "beta" { "source-value" 129.06437086 "source-unit" "degree" } }