{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.328578 0.25 ] [ 0 0.671422 0.75 ] [ 0.5 0.828578 0.25 ] [ 0.5 0.171422 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.313516 0.75 ] [ 0 0.686484 0.25 ] [ 0.5 0.813516 0.75 ] [ 0.5 0.186484 0.25 ] [ 0.101478 0.202163 0.609929 ] [ 0.898522 0.202163 0.890071 ] [ 0.898522 0.797837 0.390071 ] [ 0.101478 0.797837 0.109929 ] [ 0.700252 0.062913 0.414209 ] [ 0.299748 0.937087 0.585791 ] [ 0.299748 0.062913 0.085791 ] [ 0.700252 0.937087 0.914209 ] [ 0.601478 0.702163 0.609929 ] [ 0.398522 0.702163 0.890071 ] [ 0.398522 0.297837 0.390071 ] [ 0.601478 0.297837 0.109929 ] [ 0.200252 0.562913 0.414209 ] [ 0.799748 0.437087 0.585791 ] [ 0.799748 0.562913 0.085791 ] [ 0.200252 0.437087 0.914209 ] [ 0 0.065162 0.25 ] [ 0 0.934838 0.75 ] [ 0.5 0.565162 0.25 ] [ 0.5 0.434838 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.6932846232 "source-unit" "angstrom" } "b" { "source-value" 8.6197566904 "source-unit" "angstrom" } "c" { "source-value" 7.14089423598 "source-unit" "angstrom" } "beta" { "source-value" 115.786437189 "source-unit" "degree" } }