{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.480605 0.848993 0.669037 ] [ 0.491131 0.493801 0.997165 ] [ 0.530788 0.169592 0.337839 ] [ 0.028902 0.326114 0.663459 ] [ 0.937775 0.663721 0.329112 ] [ 0.005042 0.004212 0.002609 ] [ 0.810615 0.375384 0.434985 ] [ 0.805876 0.697074 0.106418 ] [ 0.690107 0.201591 0.104722 ] [ 0.709201 0.858071 0.441484 ] [ 0.314287 0.131945 0.56144 ] [ 0.305829 0.792887 0.895895 ] [ 0.191515 0.295592 0.89576 ] [ 0.802946 0.037867 0.765797 ] [ 0.702473 0.537957 0.75643 ] [ 0.291229 0.471993 0.241077 ] [ 0.20137 0.958683 0.240654 ] [ 0.200307 0.634522 0.556115 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.69920425 "source-unit" "angstrom" } "b" { "source-value" 5.65617081 "source-unit" "angstrom" } "c" { "source-value" 7.75746754 "source-unit" "angstrom" } "alpha" { "source-value" 86.08736265 "source-unit" "degree" } "beta" { "source-value" 89.31580215 "source-unit" "degree" } "gamma" { "source-value" 89.05541792 "source-unit" "degree" } }