{ "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" [ [ 0.000384 0 0.803936 ] [ 0.999616 0 0.196064 ] [ 0.133463 0.5 0.067477 ] [ 0.866537 0.5 0.932523 ] [ 0.500384 0.5 0.803936 ] [ 0.499616 0.5 0.196064 ] [ 0.633463 0 0.067477 ] [ 0.366537 0 0.932523 ] [ 0.167889 0 0.346508 ] [ 0.832111 0 0.653492 ] [ 0.174576 0 0.824754 ] [ 0.825424 0 0.175246 ] [ 0 0.5 0.5 ] [ 0.667889 0.5 0.346508 ] [ 0.332111 0.5 0.653492 ] [ 0.674576 0.5 0.824754 ] [ 0.325424 0.5 0.175246 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.515492995 "source-unit" "angstrom" } "b" { "source-value" 3.9327374173 "source-unit" "angstrom" } "c" { "source-value" 8.75291323603 "source-unit" "angstrom" } "beta" { "source-value" 103.673861046 "source-unit" "degree" } }