{ "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" [ [ 0.152617 0 0.290329 ] [ 0.847383 0 0.709671 ] [ 0.133168 0.5 0.048308 ] [ 0.866832 0.5 0.951692 ] [ 0.652617 0.5 0.290329 ] [ 0.347383 0.5 0.709671 ] [ 0.633168 0 0.048308 ] [ 0.366832 0 0.951692 ] [ 0.30431 0 0.261427 ] [ 0.69569 0 0.738573 ] [ 0.106318 0 0.882377 ] [ 0.893682 0 0.117623 ] [ 0.155248 0 0.493378 ] [ 0.844752 0 0.506622 ] [ 0.80431 0.5 0.261427 ] [ 0.19569 0.5 0.738573 ] [ 0.606318 0.5 0.882377 ] [ 0.393682 0.5 0.117623 ] [ 0.655248 0.5 0.493378 ] [ 0.344752 0.5 0.506622 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.834250554 "source-unit" "angstrom" } "b" { "source-value" 3.86003641932 "source-unit" "angstrom" } "c" { "source-value" 13.9569521327 "source-unit" "angstrom" } "beta" { "source-value" 139.868835515 "source-unit" "degree" } }