{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.268465 0 0.757301 ] [ 0.768465 0.5 0.757301 ] [ 0.550837 0 0.5049 ] [ 0.79538 0 0.265261 ] [ 0.970693 0 0.976447 ] [ 0.050837 0.5 0.5049 ] [ 0.29538 0.5 0.265261 ] [ 0.470693 0.5 0.976447 ] [ 0.6086 0 0.921907 ] [ 0.87082 0 0.441247 ] [ 0.932109 0 0.796804 ] [ 0.122751 0 0.235551 ] [ 0.237772 0 0.584266 ] [ 0.487321 0 0.329573 ] [ 0.732253 0 0.101742 ] [ 0.1086 0.5 0.921907 ] [ 0.37082 0.5 0.441247 ] [ 0.432109 0.5 0.796804 ] [ 0.622751 0.5 0.235551 ] [ 0.737772 0.5 0.584266 ] [ 0.987321 0.5 0.329573 ] [ 0.232253 0.5 0.101742 ] ] } "species" { "source-value" [ "Cd" "Cd" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "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" 6.44360687928 "source-unit" "angstrom" } "b" { "source-value" 3.96742974514 "source-unit" "angstrom" } "c" { "source-value" 13.1709974423 "source-unit" "angstrom" } "beta" { "source-value" 98.3546364536 "source-unit" "degree" } }