{ "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 0.308574 0 ] [ 0 0.691426 0 ] [ 0.5 0.808574 0 ] [ 0.5 0.191426 0 ] [ 0.779406 0 0.59016 ] [ 0.220594 0 0.40984 ] [ 0.279406 0.5 0.59016 ] [ 0.720594 0.5 0.40984 ] [ 0.235732 0.152437 0.217356 ] [ 0.764268 0.152437 0.782644 ] [ 0.764268 0.847563 0.782644 ] [ 0.235732 0.847563 0.217356 ] [ 0 0 0.5 ] [ 0.386098 0 0.716395 ] [ 0.613902 0 0.283605 ] [ 0.735732 0.652437 0.217356 ] [ 0.264268 0.652437 0.782644 ] [ 0.264268 0.347563 0.782644 ] [ 0.735732 0.347563 0.217356 ] [ 0.5 0.5 0.5 ] [ 0.886098 0.5 0.716395 ] [ 0.113902 0.5 0.283605 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Si" "Si" "Si" "Si" "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" 6.76827248 "source-unit" "angstrom" } "b" { "source-value" 8.87015468 "source-unit" "angstrom" } "c" { "source-value" 4.76268252 "source-unit" "angstrom" } "beta" { "source-value" 102.24273733 "source-unit" "degree" } }