{ "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 0.345876 0.5 ] [ 0 0.654124 0.5 ] [ 0.5 0.845876 0.5 ] [ 0.5 0.154124 0.5 ] [ 0.113083 0.131827 0.131017 ] [ 0.886917 0.131827 0.868983 ] [ 0.886917 0.868173 0.868983 ] [ 0.262793 0 0.651403 ] [ 0.737207 0 0.348597 ] [ 0.113083 0.868173 0.131017 ] [ 0.613083 0.631827 0.131017 ] [ 0.386917 0.631827 0.868983 ] [ 0.386917 0.368173 0.868983 ] [ 0.762793 0.5 0.651403 ] [ 0.237207 0.5 0.348597 ] [ 0.613083 0.368173 0.131017 ] [ 0.282957 0 0.370412 ] [ 0.717043 0 0.629588 ] [ 0 0.792804 0 ] [ 0 0.207196 0 ] [ 0.782957 0.5 0.370412 ] [ 0.217043 0.5 0.629588 ] [ 0.5 0.292804 0 ] [ 0.5 0.707196 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 7.52009184795 "source-unit" "angstrom" } "b" { "source-value" 8.34387456363 "source-unit" "angstrom" } "c" { "source-value" 3.24693535502 "source-unit" "angstrom" } "beta" { "source-value" 111.139958951 "source-unit" "degree" } }