{ "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" [ [ 0.018298 0.5 0.264938 ] [ 0.818591 0.5 0.717512 ] [ 0.181409 0.5 0.282488 ] [ 0.353991 0.5 0.328706 ] [ 0.981702 0.5 0.735062 ] [ 0.646009 0.5 0.671294 ] [ 0.518298 0 0.264938 ] [ 0.318591 0 0.717512 ] [ 0.681409 0 0.282488 ] [ 0.853991 0 0.328706 ] [ 0.481702 0 0.735062 ] [ 0.146009 0 0.671294 ] [ 0.169927 0 0.922898 ] [ 0.830073 0 0.077102 ] [ 0.669927 0.5 0.922898 ] [ 0.330073 0.5 0.077102 ] [ 0.81086 0 0.862575 ] [ 0.095087 0.5 0.734127 ] [ 0.904913 0.5 0.265873 ] [ 0.18914 0 0.137425 ] [ 0.960663 0 0.845293 ] [ 0.039337 0 0.154707 ] [ 0.31086 0.5 0.862575 ] [ 0.595087 0 0.734127 ] [ 0.404913 0 0.265873 ] [ 0.68914 0.5 0.137425 ] [ 0.460663 0.5 0.845293 ] [ 0.539337 0.5 0.154707 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 24.9505419954 "source-unit" "angstrom" } "b" { "source-value" 4.13872840482 "source-unit" "angstrom" } "c" { "source-value" 13.6604956482 "source-unit" "angstrom" } "beta" { "source-value" 157.694785184 "source-unit" "degree" } }