{ "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" [ [ 0.916467 0 0.2004 ] [ 0.083533 0 0.7996 ] [ 0.311381 0 0.437782 ] [ 0.688619 0 0.562218 ] [ 0.416467 0.5 0.2004 ] [ 0.583533 0.5 0.7996 ] [ 0.811381 0.5 0.437782 ] [ 0.188619 0.5 0.562218 ] [ 0.119092 0.5 0.056035 ] [ 0.880908 0.5 0.943965 ] [ 0.619092 0 0.056035 ] [ 0.380908 0 0.943965 ] [ 0.885677 0.5 0.169401 ] [ 0.114323 0.5 0.830599 ] [ 0.706892 0.5 0.637206 ] [ 0 0.74193 0 ] [ 0 0.25807 0 ] [ 0.293108 0.5 0.362794 ] [ 0.385677 0 0.169401 ] [ 0.614323 0 0.830599 ] [ 0.206892 0 0.637206 ] [ 0.5 0.24193 0 ] [ 0.5 0.75807 0 ] [ 0.793108 0 0.362794 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ge" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.2583777907 "source-unit" "angstrom" } "b" { "source-value" 7.01757752495 "source-unit" "angstrom" } "c" { "source-value" 9.91373763003 "source-unit" "angstrom" } "beta" { "source-value" 136.470350098 "source-unit" "degree" } }