{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.295407 0.5 ] [ 0.5 0.795407 0.5 ] [ 0 0.684471 0.5 ] [ 0.5 0.184471 0.5 ] [ 0.787645 0.007329 0.083296 ] [ 0.212355 0.007329 0.916704 ] [ 0.287645 0.507329 0.083296 ] [ 0.712355 0.507329 0.916704 ] [ 0.737756 0.145948 0.290712 ] [ 0.262244 0.145948 0.709288 ] [ 0.809853 0.846416 0.263555 ] [ 0.190147 0.846416 0.736445 ] [ 0 0.058501 0 ] [ 0.37594 0.000818 0.217469 ] [ 0.62406 0.000818 0.782531 ] [ 0.237756 0.645948 0.290712 ] [ 0.762244 0.645948 0.709288 ] [ 0.309853 0.346416 0.263555 ] [ 0.690147 0.346416 0.736445 ] [ 0.5 0.558501 0 ] [ 0.87594 0.500818 0.217469 ] [ 0.12406 0.500818 0.782531 ] ] } "species" { "source-value" [ "Ca" "Ca" "Zr" "Zr" "Si" "Si" "Si" "Si" "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" 6.91362224 "source-unit" "angstrom" } "b" { "source-value" 8.79768862 "source-unit" "angstrom" } "c" { "source-value" 4.74677736 "source-unit" "angstrom" } "beta" { "source-value" 101.74034519 "source-unit" "degree" } }