{ "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" [ [ 0.429906 0.130234 0.250891 ] [ 0.070094 0.630234 0.249109 ] [ 0.570094 0.869766 0.749109 ] [ 0.929906 0.369766 0.750891 ] [ 0.132497 0.030358 0.853805 ] [ 0.561686 0.788169 0.149628 ] [ 0.061686 0.711831 0.649628 ] [ 0.438314 0.211831 0.850372 ] [ 0.367503 0.530358 0.646195 ] [ 0.867503 0.969642 0.146195 ] [ 0.632497 0.469642 0.353805 ] [ 0.938314 0.288169 0.350372 ] [ 0.705655 0.123631 0.621144 ] [ 0.205655 0.376369 0.121144 ] [ 0.294345 0.876369 0.378856 ] [ 0.794345 0.623631 0.878856 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.39697290988 "source-unit" "angstrom" } "b" { "source-value" 5.22846367 "source-unit" "angstrom" } "c" { "source-value" 11.9084350552 "source-unit" "angstrom" } "beta" { "source-value" 104.211079876 "source-unit" "degree" } }