{ "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" [ [ 0.817707 0.624993 0.022499 ] [ 0.682293 0.124993 0.977501 ] [ 0.182293 0.375007 0.977501 ] [ 0.317707 0.875007 0.022499 ] [ 0.328867 0.852389 0.505821 ] [ 0.171133 0.352389 0.494179 ] [ 0.671133 0.147611 0.494179 ] [ 0.828867 0.647611 0.505821 ] [ 0.19266 0.971651 0.378159 ] [ 0.30734 0.471651 0.621841 ] [ 0.80734 0.028349 0.621841 ] [ 0.69266 0.528349 0.378159 ] [ 0.636044 0.847003 0.00903 ] [ 0.863956 0.347003 0.99097 ] [ 0.363956 0.152997 0.99097 ] [ 0.136044 0.652997 0.00903 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" "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" 5.96694392 "source-unit" "angstrom" } "b" { "source-value" 6.48112938 "source-unit" "angstrom" } "c" { "source-value" 7.94469287 "source-unit" "angstrom" } "beta" { "source-value" 111.48028135 "source-unit" "degree" } }