{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.292798 0.5 ] [ 0 0.707202 0.5 ] [ 0.5 0.792798 0.5 ] [ 0.5 0.207202 0.5 ] [ 0.282946 0 0.883865 ] [ 0.717054 0 0.116135 ] [ 0.782946 0.5 0.883865 ] [ 0.217054 0.5 0.116135 ] [ 0.845747 0 0.723861 ] [ 0.154253 0 0.276139 ] [ 0.345747 0.5 0.723861 ] [ 0.654253 0.5 0.276139 ] [ 0.80374 0.823537 0.845387 ] [ 0.19626 0.823537 0.154613 ] [ 0.019026 0 0.730306 ] [ 0.980974 0 0.269694 ] [ 0.743133 0 0.489791 ] [ 0.256867 0 0.510209 ] [ 0.19626 0.176463 0.154613 ] [ 0.80374 0.176463 0.845387 ] [ 0.30374 0.323537 0.845387 ] [ 0.69626 0.323537 0.154613 ] [ 0.519026 0.5 0.730306 ] [ 0.480974 0.5 0.269694 ] [ 0.243133 0.5 0.489791 ] [ 0.756867 0.5 0.510209 ] [ 0.69626 0.676463 0.154613 ] [ 0.30374 0.676463 0.845387 ] [ 0.517753 0 0.812619 ] [ 0.482247 0 0.187381 ] [ 0.017753 0.5 0.812619 ] [ 0.982247 0.5 0.187381 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Er" "Er" "Er" "Er" "P" "P" "P" "P" "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" 8.95937211865 "source-unit" "angstrom" } "b" { "source-value" 6.94816938481 "source-unit" "angstrom" } "c" { "source-value" 6.501823982 "source-unit" "angstrom" } "beta" { "source-value" 106.171512543 "source-unit" "degree" } }