{ "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" [ [ 0.092089 0.408401 0.303248 ] [ 0.592089 0.091599 0.303248 ] [ 0.407911 0.908401 0.696752 ] [ 0.907911 0.591599 0.696752 ] [ 0.352516 0.358478 0.948359 ] [ 0.852516 0.141522 0.948359 ] [ 0.041614 0.867234 0.378988 ] [ 0.541614 0.632766 0.378988 ] [ 0.458386 0.367234 0.621012 ] [ 0.958386 0.132766 0.621012 ] [ 0.147484 0.858478 0.051641 ] [ 0.647484 0.641522 0.051641 ] [ 0.333363 0.594708 0.136842 ] [ 0.833363 0.905292 0.136842 ] [ 0.266164 0.120887 0.456393 ] [ 0.766164 0.379113 0.456393 ] [ 0.233836 0.620887 0.543607 ] [ 0.733836 0.879113 0.543607 ] [ 0.166637 0.094708 0.863158 ] [ 0.666637 0.405292 0.863158 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 6.67246929 "source-unit" "angstrom" } "b" { "source-value" 6.97294678 "source-unit" "angstrom" } "c" { "source-value" 8.42117687 "source-unit" "angstrom" } "beta" { "source-value" 98.13689734 "source-unit" "degree" } }