{ "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" [ [ 0.927523 0.359592 0.75195 ] [ 0.572477 0.859592 0.74805 ] [ 0.072477 0.640408 0.24805 ] [ 0.427523 0.140408 0.25195 ] [ 0.644592 0.468995 0.341614 ] [ 0.855408 0.968995 0.158386 ] [ 0.355408 0.531005 0.658386 ] [ 0.144592 0.031005 0.841614 ] [ 0.921494 0.310041 0.338247 ] [ 0.578506 0.810041 0.161753 ] [ 0.078506 0.689959 0.661753 ] [ 0.421494 0.189959 0.838247 ] [ 0.792655 0.610024 0.876661 ] [ 0.707345 0.110024 0.623339 ] [ 0.207345 0.389976 0.123339 ] [ 0.292655 0.889976 0.376661 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.75839857288 "source-unit" "angstrom" } "b" { "source-value" 4.96140466 "source-unit" "angstrom" } "c" { "source-value" 11.3147723636 "source-unit" "angstrom" } "beta" { "source-value" 104.103383178 "source-unit" "degree" } }