{ "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 0.5 0 ] [ 0 0.16103 0 ] [ 0 0.330147 0.5 ] [ 0 0.669853 0.5 ] [ 0 0.83897 0 ] [ 0.5 0 0 ] [ 0.5 0.66103 0 ] [ 0.5 0.830147 0.5 ] [ 0.5 0.169853 0.5 ] [ 0.5 0.33897 0 ] [ 0.718472 0.184377 0.233487 ] [ 0.24377 0 0.2148 ] [ 0.218472 0.315623 0.233487 ] [ 0.781528 0.315623 0.766513 ] [ 0.75623 0 0.7852 ] [ 0.281528 0.184377 0.766513 ] [ 0.218472 0.684377 0.233487 ] [ 0.74377 0.5 0.2148 ] [ 0.718472 0.815623 0.233487 ] [ 0.281528 0.815623 0.766513 ] [ 0.25623 0.5 0.7852 ] [ 0.781528 0.684377 0.766513 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.23753981 "source-unit" "angstrom" } "b" { "source-value" 8.74707994 "source-unit" "angstrom" } "c" { "source-value" 5.20180938 "source-unit" "angstrom" } "beta" { "source-value" 111.6070408 "source-unit" "degree" } }