{ "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" [ [ 0.853853 0.75 0.719162 ] [ 0.146147 0.25 0.280838 ] [ 0.653329 0.25 0.94362 ] [ 0.346671 0.75 0.05638 ] [ 0.227477 0.25 0.835281 ] [ 0.772523 0.75 0.164719 ] [ 0.683924 0.439108 0.339538 ] [ 0.683924 0.060892 0.339538 ] [ 0.316076 0.560892 0.660462 ] [ 0.316076 0.939108 0.660462 ] [ 0.613621 0.25 0.381099 ] [ 0.386379 0.75 0.618901 ] [ 0.798456 0.25 0.932299 ] [ 0.201544 0.75 0.067701 ] [ 0.171759 0.25 0.691436 ] [ 0.828241 0.75 0.308564 ] ] } "species" { "source-value" [ "Ba" "Ba" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.46479807989 "source-unit" "angstrom" } "b" { "source-value" 4.22436793 "source-unit" "angstrom" } "c" { "source-value" 7.21609136925 "source-unit" "angstrom" } "beta" { "source-value" 110.223540697 "source-unit" "degree" } }