{ "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" [ [ 0.243184 0.75 0.07547 ] [ 0.749917 0.998119 0.252188 ] [ 0.749917 0.501881 0.252188 ] [ 0.250083 0.498119 0.747812 ] [ 0.250083 0.001881 0.747812 ] [ 0.756816 0.25 0.92453 ] [ 0.221733 0.25 0.338398 ] [ 0.778267 0.75 0.661602 ] [ 0.263404 0.25 0.065265 ] [ 0.736596 0.75 0.934735 ] [ 0.28907 0.75 0.42291 ] [ 0.71093 0.25 0.57709 ] [ 0.706077 0.75 0.083573 ] [ 0.027028 0.25 0.137379 ] [ 0.46748 0.25 0.170948 ] [ 0.222675 0.93575 0.325516 ] [ 0.222675 0.56425 0.325516 ] [ 0.582493 0.75 0.461487 ] [ 0.861507 0.25 0.429668 ] [ 0.138493 0.75 0.570332 ] [ 0.417507 0.25 0.538513 ] [ 0.777325 0.43575 0.674484 ] [ 0.777325 0.06425 0.674484 ] [ 0.53252 0.75 0.829052 ] [ 0.972972 0.75 0.862621 ] [ 0.293923 0.25 0.916427 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "B" "B" "P" "P" "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" 5.2447213 "source-unit" "angstrom" } "b" { "source-value" 6.69572435 "source-unit" "angstrom" } "c" { "source-value" 8.94305683 "source-unit" "angstrom" } "beta" { "source-value" 90.9420384 "source-unit" "degree" } }