{ "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 0.270894 0.75 ] [ 0 0.729106 0.25 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0.5 ] [ 0.5 0.770894 0.75 ] [ 0.5 0.229106 0.25 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0.5 ] [ 0.092679 0.585997 0.978316 ] [ 0.824343 0.060763 0.349877 ] [ 0.175657 0.939237 0.650123 ] [ 0.175657 0.060763 0.150123 ] [ 0.824343 0.939237 0.849877 ] [ 0.092679 0.414003 0.478316 ] [ 0.907321 0.585997 0.521684 ] [ 0.907321 0.414003 0.021684 ] [ 0.592679 0.085997 0.978316 ] [ 0.324343 0.560763 0.349877 ] [ 0.675657 0.439237 0.650123 ] [ 0.675657 0.560763 0.150123 ] [ 0.324343 0.439237 0.849877 ] [ 0.592679 0.914003 0.478316 ] [ 0.407321 0.085997 0.521684 ] [ 0.407321 0.914003 0.021684 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "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" 12.5520347447 "source-unit" "angstrom" } "b" { "source-value" 5.28161867031 "source-unit" "angstrom" } "c" { "source-value" 5.67722326055 "source-unit" "angstrom" } "beta" { "source-value" 108.055848471 "source-unit" "degree" } }