{ "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" [ [ 0.774063 0 0.094105 ] [ 0.225937 0 0.905895 ] [ 0.274063 0.5 0.094105 ] [ 0.725937 0.5 0.905895 ] [ 0 0.308003 0.5 ] [ 0 0.691997 0.5 ] [ 0.5 0.808003 0.5 ] [ 0.5 0.191997 0.5 ] [ 0.234394 0.15486 0.717647 ] [ 0.765606 0.15486 0.282353 ] [ 0.765606 0.84514 0.282353 ] [ 0.234394 0.84514 0.717647 ] [ 0 0 0 ] [ 0.396874 0 0.210342 ] [ 0.603126 0 0.789658 ] [ 0.734394 0.65486 0.717647 ] [ 0.265606 0.65486 0.282353 ] [ 0.265606 0.34514 0.282353 ] [ 0.734394 0.34514 0.717647 ] [ 0.5 0.5 0 ] [ 0.896874 0.5 0.210342 ] [ 0.103126 0.5 0.789658 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cd" "Cd" "Cd" "Cd" "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" 7.14853442184 "source-unit" "angstrom" } "b" { "source-value" 9.23760988079 "source-unit" "angstrom" } "c" { "source-value" 5.10125904529 "source-unit" "angstrom" } "beta" { "source-value" 103.488006396 "source-unit" "degree" } }