{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.858735 0.75763 0.746978 ] [ 0.141265 0.75763 0.753022 ] [ 0.141265 0.24237 0.253022 ] [ 0.858735 0.24237 0.246978 ] [ 0.358735 0.25763 0.746978 ] [ 0.641265 0.25763 0.753022 ] [ 0.641265 0.74237 0.253022 ] [ 0.358735 0.74237 0.246978 ] [ 0.205342 0.06865 0.628016 ] [ 0.794658 0.06865 0.871984 ] [ 0.794658 0.93135 0.371984 ] [ 0.205342 0.93135 0.128016 ] [ 0 0.111532 0.25 ] [ 0 0.888468 0.75 ] [ 0.111514 0.551479 0.479814 ] [ 0.888486 0.551479 0.020186 ] [ 0.888486 0.448521 0.520186 ] [ 0.111514 0.448521 0.979814 ] [ 0.705342 0.56865 0.628016 ] [ 0.294658 0.56865 0.871984 ] [ 0.294658 0.43135 0.371984 ] [ 0.705342 0.43135 0.128016 ] [ 0.5 0.611532 0.25 ] [ 0.5 0.388468 0.75 ] [ 0.611514 0.051479 0.479814 ] [ 0.388486 0.051479 0.020186 ] [ 0.388486 0.948521 0.520186 ] [ 0.611514 0.948521 0.979814 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "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" 12.9766791009 "source-unit" "angstrom" } "b" { "source-value" 4.98168906193 "source-unit" "angstrom" } "c" { "source-value" 5.68564433648 "source-unit" "angstrom" } "beta" { "source-value" 103.882846308 "source-unit" "degree" } }