{ "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 0.306388 0.5 ] [ 0 0.693612 0.5 ] [ 0.5 0.806388 0.5 ] [ 0.5 0.193612 0.5 ] [ 0.769068 0 0.090651 ] [ 0.230932 0 0.909349 ] [ 0.269068 0.5 0.090651 ] [ 0.730932 0.5 0.909349 ] [ 0.76011 0.159403 0.287443 ] [ 0.76011 0.840597 0.287443 ] [ 0.597547 0 0.776764 ] [ 0.402453 0 0.223236 ] [ 0 0 0 ] [ 0.23989 0.840597 0.712557 ] [ 0.23989 0.159403 0.712557 ] [ 0.26011 0.659403 0.287443 ] [ 0.26011 0.340597 0.287443 ] [ 0.097547 0.5 0.776764 ] [ 0.902453 0.5 0.223236 ] [ 0.5 0.5 0 ] [ 0.73989 0.340597 0.712557 ] [ 0.73989 0.659403 0.712557 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ge" "Ge" "Ge" "Ge" "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" 6.99499973 "source-unit" "angstrom" } "b" { "source-value" 9.17518852 "source-unit" "angstrom" } "c" { "source-value" 5.0301295 "source-unit" "angstrom" } "beta" { "source-value" 102.25474288 "source-unit" "degree" } }