{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.148705 0.75 ] [ 0 0.851295 0.25 ] [ 0.703045 0.053398 0.980927 ] [ 0.296955 0.053398 0.519073 ] [ 0.296955 0.946602 0.019073 ] [ 0.703045 0.946602 0.480927 ] [ 0.5 0.648705 0.75 ] [ 0.5 0.351295 0.25 ] [ 0.203045 0.553398 0.980927 ] [ 0.796955 0.553398 0.519073 ] [ 0.796955 0.446602 0.019073 ] [ 0.203045 0.446602 0.480927 ] [ 0 0.216861 0.25 ] [ 0 0.783139 0.75 ] [ 0.5 0.716861 0.25 ] [ 0.5 0.283139 0.75 ] [ 0.872432 0.221201 0.355936 ] [ 0.127568 0.221201 0.144064 ] [ 0.872432 0.778799 0.855936 ] [ 0.127568 0.778799 0.644064 ] [ 0.372432 0.721201 0.355936 ] [ 0.627568 0.721201 0.144064 ] [ 0.372432 0.278799 0.855936 ] [ 0.627568 0.278799 0.644064 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "B" "B" "B" "B" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.97587201 "source-unit" "angstrom" } "b" { "source-value" 9.5778142 "source-unit" "angstrom" } "c" { "source-value" 9.65514162 "source-unit" "angstrom" } "beta" { "source-value" 110.53073858 "source-unit" "degree" } }