{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.741728 0.75 ] [ 0 0.258272 0.25 ] [ 0 0.424052 0.75 ] [ 0 0.575948 0.25 ] [ 0.5 0.241728 0.75 ] [ 0.5 0.758272 0.25 ] [ 0.5 0.924052 0.75 ] [ 0.5 0.075948 0.25 ] [ 0 0.090947 0.75 ] [ 0 0.909053 0.25 ] [ 0.5 0.590947 0.75 ] [ 0.5 0.409053 0.25 ] [ 0.25 0.25 0 ] [ 0.230489 0.924136 0.012785 ] [ 0.230489 0.075864 0.512785 ] [ 0.769511 0.075864 0.987215 ] [ 0.769511 0.924136 0.487215 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.730489 0.424136 0.012785 ] [ 0.730489 0.575864 0.512785 ] [ 0.269511 0.575864 0.987215 ] [ 0.269511 0.424136 0.487215 ] [ 0.75 0.25 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Zr" "Zr" "Zr" "Zr" "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" 5.45117812076 "source-unit" "angstrom" } "b" { "source-value" 9.14518529481 "source-unit" "angstrom" } "c" { "source-value" 5.46143635877 "source-unit" "angstrom" } "beta" { "source-value" 112.128837944 "source-unit" "degree" } }