{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.893791 0.943172 0.171267 ] [ 0.106209 0.443172 0.328733 ] [ 0.893791 0.556828 0.671267 ] [ 0.106209 0.056828 0.828733 ] [ 0.36887 0.694158 0.147862 ] [ 0.63113 0.194158 0.352138 ] [ 0.36887 0.805842 0.647862 ] [ 0.63113 0.305842 0.852138 ] [ 0.789858 0.42879 0.03631 ] [ 0.166148 0.865355 0.095226 ] [ 0.61462 0.104518 0.162861 ] [ 0.716001 0.73678 0.206481 ] [ 0.283999 0.23678 0.293519 ] [ 0.38538 0.604518 0.337139 ] [ 0.833852 0.365355 0.404774 ] [ 0.789858 0.07121 0.53631 ] [ 0.210142 0.92879 0.46369 ] [ 0.166148 0.634645 0.595226 ] [ 0.61462 0.395482 0.662861 ] [ 0.716001 0.76322 0.706481 ] [ 0.283999 0.26322 0.793519 ] [ 0.38538 0.895482 0.837139 ] [ 0.833852 0.134645 0.904774 ] [ 0.210142 0.57121 0.96369 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Cr" "Cr" "Cr" "Cr" "O" "O" "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" 5.27417213 "source-unit" "angstrom" } "b" { "source-value" 8.32554531 "source-unit" "angstrom" } "c" { "source-value" 8.26745447 "source-unit" "angstrom" } "beta" { "source-value" 122.44899282 "source-unit" "degree" } }