{ "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" [ [ 0.039315 0.75 0.74501 ] [ 0.452863 0.25 0.099588 ] [ 0.547137 0.75 0.900412 ] [ 0.960685 0.25 0.25499 ] [ 0.464336 0.75 0.06437 ] [ 0.951886 0.75 0.607513 ] [ 0.535664 0.25 0.93563 ] [ 0.048114 0.25 0.392487 ] [ 0.338002 0.75 0.783639 ] [ 0.171065 0.25 0.145369 ] [ 0.661998 0.25 0.216361 ] [ 0.828935 0.75 0.854631 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "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" 6.16788896593 "source-unit" "angstrom" } "b" { "source-value" 3.90730131 "source-unit" "angstrom" } "c" { "source-value" 11.4084080454 "source-unit" "angstrom" } "beta" { "source-value" 92.7679122523 "source-unit" "degree" } }