{ "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" [ [ 0.768042 0.501857 0.230497 ] [ 0.768042 0.998143 0.230497 ] [ 0.231958 0.498143 0.769503 ] [ 0.231958 0.001857 0.769503 ] [ 0.225957 0.25 0.344595 ] [ 0.774043 0.75 0.655405 ] [ 0.274018 0.25 0.074219 ] [ 0.725982 0.75 0.925781 ] [ 0.278269 0.75 0.420896 ] [ 0.721731 0.25 0.579104 ] [ 0.712146 0.75 0.075793 ] [ 0.042381 0.25 0.157637 ] [ 0.476262 0.25 0.18653 ] [ 0.214976 0.916027 0.334133 ] [ 0.214976 0.583973 0.334133 ] [ 0.860063 0.25 0.428203 ] [ 0.57399 0.75 0.460722 ] [ 0.42601 0.25 0.539278 ] [ 0.139937 0.75 0.571797 ] [ 0.785024 0.416027 0.665867 ] [ 0.785024 0.083973 0.665867 ] [ 0.523738 0.75 0.81347 ] [ 0.957619 0.75 0.842363 ] [ 0.287854 0.25 0.924207 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "B" "B" "S" "S" "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" 5.06973203 "source-unit" "angstrom" } "b" { "source-value" 7.33987978 "source-unit" "angstrom" } "c" { "source-value" 8.76142487 "source-unit" "angstrom" } "beta" { "source-value" 91.36628644 "source-unit" "degree" } }