{ "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" [ [ 0.276856 0.443638 0.715719 ] [ 0.723144 0.943638 0.784281 ] [ 0.723144 0.556362 0.284281 ] [ 0.276856 0.056362 0.215719 ] [ 0.447653 0.741513 0.961829 ] [ 0.552347 0.241513 0.538171 ] [ 0.552347 0.258487 0.038171 ] [ 0.447653 0.758487 0.461829 ] [ 0.062928 0.322566 0.352503 ] [ 0.937072 0.822566 0.147497 ] [ 0.937072 0.677434 0.647497 ] [ 0.062928 0.177434 0.852503 ] ] } "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" 4.85460209715 "source-unit" "angstrom" } "b" { "source-value" 4.91444041 "source-unit" "angstrom" } "c" { "source-value" 5.09281304182 "source-unit" "angstrom" } "beta" { "source-value" 100.117347185 "source-unit" "degree" } }