{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.684413 0.25 0.879251 ] [ 0.315587 0.75 0.120749 ] [ 0.88229 0.75 0.668749 ] [ 0.11771 0.25 0.331251 ] [ 0.904849 0.75 0.103781 ] [ 0.095151 0.25 0.896219 ] [ 0.885168 0.75 0.871377 ] [ 0.114832 0.25 0.128623 ] [ 0.868928 0.75 0.380073 ] [ 0.131072 0.25 0.619927 ] [ 0.631097 0.25 0.61998 ] [ 0.368903 0.75 0.38002 ] [ 0.392215 0.75 0.864859 ] [ 0.607785 0.25 0.135141 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Ru" "Ru" "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" 9.57328732716 "source-unit" "angstrom" } "b" { "source-value" 4.40172692 "source-unit" "angstrom" } "c" { "source-value" 12.6253616746 "source-unit" "angstrom" } "beta" { "source-value" 93.3862585587 "source-unit" "degree" } }