{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.597448 0.216093 0.909383 ] [ 0.902552 0.716093 0.590617 ] [ 0.402552 0.783907 0.090617 ] [ 0.097448 0.283907 0.409383 ] [ 0.366562 0.001117 0.637318 ] [ 0.133438 0.501117 0.862682 ] [ 0.633438 0.998883 0.362682 ] [ 0.866562 0.498883 0.137318 ] [ 0.938478 0.005197 0.119454 ] [ 0.561522 0.505197 0.380546 ] [ 0.061522 0.994803 0.880546 ] [ 0.438478 0.494803 0.619454 ] [ 0.834261 0.243864 0.656998 ] [ 0.165739 0.756136 0.343002 ] [ 0.334261 0.256136 0.156998 ] [ 0.665739 0.743864 0.843002 ] [ 0.143065 0.371469 0.640333 ] [ 0.356935 0.871469 0.859667 ] [ 0.856935 0.628531 0.359667 ] [ 0.643065 0.128531 0.140333 ] [ 0.932172 0.781655 0.989385 ] [ 0.567828 0.281655 0.510615 ] [ 0.067828 0.218345 0.010615 ] [ 0.432172 0.718345 0.489385 ] [ 0.28074 0.513953 0.248045 ] [ 0.78074 0.986047 0.748045 ] [ 0.21926 0.013953 0.251955 ] [ 0.71926 0.486047 0.751955 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.0282952319 "source-unit" "angstrom" } "b" { "source-value" 6.70870162 "source-unit" "angstrom" } "c" { "source-value" 11.3023646447 "source-unit" "angstrom" } "beta" { "source-value" 97.5127028866 "source-unit" "degree" } }