{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.183567 0.5 0.707545 ] [ 0.816433 0.5 0.292455 ] [ 0.683567 0 0.707545 ] [ 0.316433 0 0.292455 ] [ 0.960752 0 0.073317 ] [ 0.039248 0 0.926683 ] [ 0.460752 0.5 0.073317 ] [ 0.539248 0.5 0.926683 ] [ 0.847352 0.5 0.620698 ] [ 0.152648 0.5 0.379302 ] [ 0.347352 0 0.620698 ] [ 0.652648 0 0.379302 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "C" "C" "C" "C" "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" 7.09114173347 "source-unit" "angstrom" } "b" { "source-value" 4.01114854 "source-unit" "angstrom" } "c" { "source-value" 7.36727266525 "source-unit" "angstrom" } "beta" { "source-value" 95.2979517372 "source-unit" "degree" } }