{ "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 0.692012 0.5 ] [ 0 0.307988 0.5 ] [ 0.5 0.192012 0.5 ] [ 0.5 0.807988 0.5 ] [ 0.231719 0 0.903295 ] [ 0.768281 0 0.096705 ] [ 0.731719 0.5 0.903295 ] [ 0.268281 0.5 0.096705 ] [ 0.234367 0.159742 0.712382 ] [ 0.765633 0.159742 0.287618 ] [ 0.765633 0.840258 0.287618 ] [ 0.234367 0.840258 0.712382 ] [ 0 0 0 ] [ 0.396982 0 0.221313 ] [ 0.603018 0 0.778687 ] [ 0.734367 0.659742 0.712382 ] [ 0.265633 0.659742 0.287618 ] [ 0.265633 0.340258 0.287618 ] [ 0.734367 0.340258 0.712382 ] [ 0.5 0.5 0 ] [ 0.896982 0.5 0.221313 ] [ 0.103018 0.5 0.778687 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "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" 6.85009209244 "source-unit" "angstrom" } "b" { "source-value" 8.93773799482 "source-unit" "angstrom" } "c" { "source-value" 4.90280628547 "source-unit" "angstrom" } "beta" { "source-value" 102.76668306 "source-unit" "degree" } }