{ "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 0.839797 0.25 ] [ 0.711286 0.047805 0.984611 ] [ 0 0.160203 0.75 ] [ 0.711286 0.952195 0.484611 ] [ 0.288714 0.047805 0.515389 ] [ 0.288714 0.952195 0.015389 ] [ 0.5 0.339797 0.25 ] [ 0.211286 0.547805 0.984611 ] [ 0.5 0.660203 0.75 ] [ 0.211286 0.452195 0.484611 ] [ 0.788714 0.547805 0.515389 ] [ 0.788714 0.452195 0.015389 ] [ 0.905154 0.217234 0.339152 ] [ 0.094846 0.782766 0.660848 ] [ 0.905154 0.782766 0.839152 ] [ 0.094846 0.217234 0.160848 ] [ 0.405154 0.717234 0.339152 ] [ 0.594846 0.282766 0.660848 ] [ 0.405154 0.282766 0.839152 ] [ 0.594846 0.717234 0.160848 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2573513498 "source-unit" "angstrom" } "b" { "source-value" 10.5987319584 "source-unit" "angstrom" } "c" { "source-value" 10.3172715002 "source-unit" "angstrom" } "beta" { "source-value" 104.389643435 "source-unit" "degree" } }