{ "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" [ [ 0.719303 0.950634 0.334881 ] [ 0.280697 0.450634 0.665119 ] [ 0.280697 0.049366 0.665119 ] [ 0.719303 0.549366 0.334881 ] [ 0.177551 0.75 0.003055 ] [ 0.822449 0.25 0.996945 ] [ 0.613094 0.75 0.738694 ] [ 0.386906 0.25 0.261306 ] [ 0.245695 0.413794 0.171194 ] [ 0.754305 0.913794 0.828806 ] [ 0.754305 0.586206 0.828806 ] [ 0.245695 0.086206 0.171194 ] [ 0.672426 0.25 0.446689 ] [ 0.327574 0.75 0.553311 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "B" "B" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.86516142803 "source-unit" "angstrom" } "b" { "source-value" 10.47129687 "source-unit" "angstrom" } "c" { "source-value" 6.91939698032 "source-unit" "angstrom" } "beta" { "source-value" 97.5167413674 "source-unit" "degree" } }