{ "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" [ [ 0.186588 0.30327 0.20122 ] [ 0.313412 0.80327 0.29878 ] [ 0.813412 0.69673 0.79878 ] [ 0.686588 0.19673 0.70122 ] [ 0.743694 0.550945 0.316124 ] [ 0.756306 0.050945 0.183876 ] [ 0.256306 0.449055 0.683876 ] [ 0.243694 0.949055 0.816124 ] [ 0.692982 0.87895 0.06559 ] [ 0.807018 0.37895 0.43441 ] [ 0.307018 0.12105 0.93441 ] [ 0.192982 0.62105 0.56559 ] [ 0.518486 0.465418 0.806432 ] [ 0.981514 0.965418 0.693568 ] [ 0.481514 0.534582 0.193568 ] [ 0.018486 0.034582 0.306432 ] [ 0.464332 0.920592 0.673593 ] [ 0.035668 0.420592 0.826407 ] [ 0.535668 0.079408 0.326407 ] [ 0.964332 0.579408 0.173593 ] [ 0.716209 0.71613 0.451334 ] [ 0.783791 0.21613 0.048666 ] [ 0.283791 0.28387 0.548666 ] [ 0.216209 0.78387 0.951334 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ga" "Ga" "Ga" "Ga" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.3908360388 "source-unit" "angstrom" } "b" { "source-value" 10.67196156 "source-unit" "angstrom" } "c" { "source-value" 9.60175545943 "source-unit" "angstrom" } "beta" { "source-value" 93.354062309 "source-unit" "degree" } }