{ "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" [ [ 0.630534 0 0.350823 ] [ 0 0.194206 0.5 ] [ 0 0.805794 0.5 ] [ 0 0.740014 0 ] [ 0 0.259986 0 ] [ 0.369466 0 0.649177 ] [ 0.130534 0.5 0.350823 ] [ 0.5 0.694206 0.5 ] [ 0.5 0.305794 0.5 ] [ 0.5 0.240014 0 ] [ 0.5 0.759986 0 ] [ 0.869466 0.5 0.649177 ] [ 0.824524 0 0.852312 ] [ 0.175476 0 0.147688 ] [ 0.324524 0.5 0.852312 ] [ 0.675476 0.5 0.147688 ] [ 0.899757 0 0.159947 ] [ 0.699911 0.141426 0.729594 ] [ 0.699911 0.858574 0.729594 ] [ 0.300089 0.858574 0.270406 ] [ 0.300089 0.141426 0.270406 ] [ 0.100243 0 0.840053 ] [ 0.399757 0.5 0.159947 ] [ 0.199911 0.641426 0.729594 ] [ 0.199911 0.358574 0.729594 ] [ 0.800089 0.358574 0.270406 ] [ 0.800089 0.641426 0.270406 ] [ 0.600243 0.5 0.840053 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "In" "In" "In" "In" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.73815969 "source-unit" "angstrom" } "b" { "source-value" 12.11489086 "source-unit" "angstrom" } "c" { "source-value" 7.09733259 "source-unit" "angstrom" } "beta" { "source-value" 100.81112695 "source-unit" "degree" } }