{ "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" [ [ 0.75714 0 0.104673 ] [ 0.24286 0 0.895327 ] [ 0.25714 0.5 0.104673 ] [ 0.74286 0.5 0.895327 ] [ 0 0.315095 0.5 ] [ 0 0.684905 0.5 ] [ 0.5 0.815095 0.5 ] [ 0.5 0.184905 0.5 ] [ 0.571744 0 0.777936 ] [ 0.428256 0 0.222064 ] [ 0.221983 0.167147 0.705979 ] [ 0.778017 0.167147 0.294021 ] [ 0 0 0 ] [ 0.221983 0.832853 0.705979 ] [ 0.778017 0.832853 0.294021 ] [ 0.071744 0.5 0.777936 ] [ 0.928256 0.5 0.222064 ] [ 0.721983 0.667147 0.705979 ] [ 0.278017 0.667147 0.294021 ] [ 0.5 0.5 0 ] [ 0.721983 0.332853 0.705979 ] [ 0.278017 0.332853 0.294021 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Zn" "Zn" "Zn" "Zn" "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" 6.50425109431 "source-unit" "angstrom" } "b" { "source-value" 8.6876878505 "source-unit" "angstrom" } "c" { "source-value" 5.082397299 "source-unit" "angstrom" } "beta" { "source-value" 103.848933276 "source-unit" "degree" } }