{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.781069 0.25 ] [ 0 0.218931 0.75 ] [ 0.5 0.121174 0.25 ] [ 0.5 0.878826 0.75 ] [ 0.5 0.281069 0.25 ] [ 0.5 0.718931 0.75 ] [ 0 0.621174 0.25 ] [ 0 0.378826 0.75 ] [ 0 0.961132 0.25 ] [ 0 0.038868 0.75 ] [ 0.5 0.461132 0.25 ] [ 0.5 0.538868 0.75 ] [ 0 0.199088 0.25 ] [ 0 0.800912 0.75 ] [ 0.5 0.699088 0.25 ] [ 0.5 0.300912 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.51403186672 "source-unit" "angstrom" } "b" { "source-value" 20.3739038476 "source-unit" "angstrom" } "c" { "source-value" 5.00300739 "source-unit" "angstrom" } }