{ "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" [ [ 0.862673 0 0.885551 ] [ 0.137327 0 0.114449 ] [ 0.362673 0.5 0.885551 ] [ 0.637327 0.5 0.114449 ] [ 0.175976 0.5 0.662222 ] [ 0.824024 0.5 0.337778 ] [ 0.675976 0 0.662222 ] [ 0.324024 0 0.337778 ] [ 0 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.8723432246 "source-unit" "angstrom" } "b" { "source-value" 4.3772044151 "source-unit" "angstrom" } "c" { "source-value" 4.47926646718 "source-unit" "angstrom" } "beta" { "source-value" 102.401435722 "source-unit" "degree" } }