{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.789757 0.195809 0.272016 ] [ 0 0.988581 0.25 ] [ 0.789757 0.804191 0.772016 ] [ 0 0.011419 0.75 ] [ 0.210243 0.195809 0.227984 ] [ 0.210243 0.804191 0.727984 ] [ 0.289757 0.695809 0.272016 ] [ 0.5 0.488581 0.25 ] [ 0.289757 0.304191 0.772016 ] [ 0.5 0.511419 0.75 ] [ 0.710243 0.695809 0.227984 ] [ 0.710243 0.304191 0.727984 ] [ 0.5 0.057644 0.25 ] [ 0.5 0.942356 0.75 ] [ 0 0.557644 0.25 ] [ 0 0.442356 0.75 ] [ 0.661658 0.900843 0.238062 ] [ 0.338342 0.900843 0.261938 ] [ 0.661658 0.099157 0.738062 ] [ 0.338342 0.099157 0.761938 ] [ 0.161658 0.400843 0.238062 ] [ 0.838342 0.400843 0.261938 ] [ 0.161658 0.599157 0.738062 ] [ 0.838342 0.599157 0.761938 ] [ 0.658976 0.0017 0.267944 ] [ 0.658976 0.9983 0.767944 ] [ 0.400661 0.879354 0.525618 ] [ 0.341024 0.0017 0.232056 ] [ 0.140613 0.136651 0.563743 ] [ 0.599339 0.120646 0.474382 ] [ 0.140613 0.863349 0.063743 ] [ 0.400661 0.120646 0.025618 ] [ 0.5 0.145082 0.75 ] [ 0.341024 0.9983 0.732056 ] [ 0.859387 0.136651 0.936257 ] [ 0.5 0.854918 0.25 ] [ 0.859387 0.863349 0.436257 ] [ 0.599339 0.879354 0.974382 ] [ 0.158976 0.5017 0.267944 ] [ 0.158976 0.4983 0.767944 ] [ 0.900661 0.379354 0.525618 ] [ 0.841024 0.5017 0.232056 ] [ 0.640613 0.636651 0.563743 ] [ 0.099339 0.620646 0.474382 ] [ 0.640613 0.363349 0.063743 ] [ 0.900661 0.620646 0.025618 ] [ 0 0.645082 0.75 ] [ 0.841024 0.4983 0.732056 ] [ 0.359387 0.636651 0.936257 ] [ 0 0.354918 0.25 ] [ 0.359387 0.363349 0.436257 ] [ 0.099339 0.379354 0.974382 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.78338009231 "source-unit" "angstrom" } "b" { "source-value" 17.5349595587 "source-unit" "angstrom" } "c" { "source-value" 7.75455548839 "source-unit" "angstrom" } "beta" { "source-value" 126.718045645 "source-unit" "degree" } }