{ "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" [ [ 0.729304 0.75 0.928861 ] [ 0.270696 0.25 0.071139 ] [ 0.776322 0.75 0.448225 ] [ 0.223678 0.25 0.551775 ] [ 0.210938 0.75 0.294438 ] [ 0.789062 0.25 0.705562 ] [ 0.994496 0.00662 0.233147 ] [ 0.005504 0.50662 0.766853 ] [ 0.624452 0.25 0.435302 ] [ 0.375548 0.75 0.564698 ] [ 0.595148 0.25 0.874238 ] [ 0.404852 0.75 0.125762 ] [ 0.994496 0.49338 0.233147 ] [ 0.005504 0.99338 0.766853 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.65290557835 "source-unit" "angstrom" } "b" { "source-value" 7.68620986 "source-unit" "angstrom" } "c" { "source-value" 9.73722563482 "source-unit" "angstrom" } "beta" { "source-value" 108.537412425 "source-unit" "degree" } }