{ "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 0.308036 0 ] [ 0 0.691964 0 ] [ 0.5 0.808036 0 ] [ 0.5 0.191964 0 ] [ 0.766732 0 0.594525 ] [ 0.233268 0 0.405475 ] [ 0.266732 0.5 0.594525 ] [ 0.733268 0.5 0.405475 ] [ 0.239297 0.165118 0.210759 ] [ 0.760703 0.165118 0.789241 ] [ 0.760703 0.834882 0.789241 ] [ 0.239297 0.834882 0.210759 ] [ 0 0 0.5 ] [ 0.409575 0 0.725549 ] [ 0.590425 0 0.274451 ] [ 0.739297 0.665118 0.210759 ] [ 0.260703 0.665118 0.789241 ] [ 0.260703 0.334882 0.789241 ] [ 0.739297 0.334882 0.210759 ] [ 0.5 0.5 0.5 ] [ 0.909575 0.5 0.725549 ] [ 0.090425 0.5 0.274451 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "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" 6.76170652898 "source-unit" "angstrom" } "b" { "source-value" 8.96837490507 "source-unit" "angstrom" } "c" { "source-value" 5.00987164366 "source-unit" "angstrom" } "beta" { "source-value" 102.521289948 "source-unit" "degree" } }