{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.765607 0.997753 0.223227 ] [ 0.765607 0.502247 0.223227 ] [ 0.234393 0.497753 0.776773 ] [ 0.234393 0.002247 0.776773 ] [ 0.211389 0.25 0.342701 ] [ 0.788611 0.75 0.657299 ] [ 0.288685 0.75 0.423365 ] [ 0.711315 0.25 0.576635 ] [ 0.274388 0.25 0.075805 ] [ 0.725612 0.75 0.924195 ] [ 0.693909 0.75 0.059795 ] [ 0.051592 0.25 0.135224 ] [ 0.462292 0.25 0.175434 ] [ 0.200305 0.950985 0.318886 ] [ 0.200305 0.549015 0.318886 ] [ 0.85076 0.25 0.409011 ] [ 0.613268 0.75 0.454727 ] [ 0.386732 0.25 0.545273 ] [ 0.14924 0.75 0.590989 ] [ 0.799695 0.450985 0.681114 ] [ 0.799695 0.049015 0.681114 ] [ 0.537708 0.75 0.824566 ] [ 0.948408 0.75 0.864776 ] [ 0.306091 0.25 0.940205 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cr" "Cr" "As" "As" "C" "C" "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" 5.3063973 "source-unit" "angstrom" } "b" { "source-value" 6.73618982 "source-unit" "angstrom" } "c" { "source-value" 9.10562708 "source-unit" "angstrom" } "beta" { "source-value" 92.00384033 "source-unit" "degree" } }