{ "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 0.5 ] [ 0.344894 0 0.28293 ] [ 0.655106 0 0.71707 ] [ 0.5 0.5 0.5 ] [ 0.844894 0.5 0.28293 ] [ 0.155106 0.5 0.71707 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.956375 0.248293 0.301108 ] [ 0.956375 0.751707 0.301108 ] [ 0.749023 0 0.920064 ] [ 0.778991 0 0.5526 ] [ 0.221009 0 0.4474 ] [ 0.250977 0 0.079936 ] [ 0.043625 0.751707 0.698892 ] [ 0.043625 0.248293 0.698892 ] [ 0.456375 0.748293 0.301108 ] [ 0.456375 0.251707 0.301108 ] [ 0.249023 0.5 0.920064 ] [ 0.278991 0.5 0.5526 ] [ 0.721009 0.5 0.4474 ] [ 0.750977 0.5 0.079936 ] [ 0.543625 0.251707 0.698892 ] [ 0.543625 0.748293 0.698892 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Ag" "Ag" "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" 8.71866003916 "source-unit" "angstrom" } "b" { "source-value" 5.55990674747 "source-unit" "angstrom" } "c" { "source-value" 7.22526241405 "source-unit" "angstrom" } "beta" { "source-value" 93.8885022822 "source-unit" "degree" } }