{ "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 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.249034 0.5 0.314512 ] [ 0.007923 0.766976 0.232064 ] [ 0.007923 0.233024 0.232064 ] [ 0.759138 0 0.748773 ] [ 0.240862 0 0.251227 ] [ 0.992077 0.766976 0.767936 ] [ 0.992077 0.233024 0.767936 ] [ 0.750966 0.5 0.685488 ] [ 0.749034 0 0.314512 ] [ 0.507923 0.266976 0.232064 ] [ 0.507923 0.733024 0.232064 ] [ 0.259138 0.5 0.748773 ] [ 0.740862 0.5 0.251227 ] [ 0.492077 0.266976 0.767936 ] [ 0.492077 0.733024 0.767936 ] [ 0.250966 0 0.685488 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Te" "Te" "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" 10.11178982 "source-unit" "angstrom" } "b" { "source-value" 6.00267532 "source-unit" "angstrom" } "c" { "source-value" 6.17639846 "source-unit" "angstrom" } "beta" { "source-value" 127.30933442 "source-unit" "degree" } }