{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.275574 0.081922 0.213893 ] [ 0.724426 0.918078 0.786107 ] [ 0.025838 0.588925 0.144834 ] [ 0.974162 0.411075 0.855166 ] [ 0.498759 0.533293 0.312764 ] [ 0.501241 0.466707 0.687236 ] [ 0.325077 0.206395 0.459317 ] [ 0.674923 0.793605 0.540683 ] [ 0.236551 0.948532 0.868147 ] [ 0.763449 0.051468 0.131853 ] [ 0.121073 0.76039 0.178941 ] [ 0.878927 0.23961 0.821059 ] [ 0.407283 0.389876 0.193974 ] [ 0.592717 0.610124 0.806026 ] ] } "species" { "source-value" [ "Mo" "Mo" "H" "H" "H" "H" "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" 3.76314387851 "source-unit" "angstrom" } "b" { "source-value" 6.35590081317 "source-unit" "angstrom" } "c" { "source-value" 7.61561615681 "source-unit" "angstrom" } "alpha" { "source-value" 112.924367681 "source-unit" "degree" } "beta" { "source-value" 88.0758999247 "source-unit" "degree" } "gamma" { "source-value" 105.928100006 "source-unit" "degree" } }