{ "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" [ [ 0.900493 0 0.200294 ] [ 0.599507 0.5 0.799706 ] [ 0.400493 0.5 0.200294 ] [ 0.099507 0 0.799706 ] [ 0 0.5 0 ] [ 0.20018 0.5 0.599546 ] [ 0.79982 0.5 0.400454 ] [ 0.5 0 0 ] [ 0.70018 0 0.599546 ] [ 0.29982 0 0.400454 ] [ 0.905192 0.5 0.207271 ] [ 0 0 0 ] [ 0.205998 0 0.605977 ] [ 0.594808 0 0.792729 ] [ 0.794002 0 0.394023 ] [ 0.405192 0 0.207271 ] [ 0.5 0.5 0 ] [ 0.705998 0.5 0.605977 ] [ 0.094808 0.5 0.792729 ] [ 0.294002 0.5 0.394023 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 9.51971482 "source-unit" "angstrom" } "b" { "source-value" 4.26075146 "source-unit" "angstrom" } "c" { "source-value" 6.73247323 "source-unit" "angstrom" } "beta" { "source-value" 134.71040695 "source-unit" "degree" } }