{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.33236 0.158851 0.18856 ] [ 0.16764 0.658851 0.81144 ] [ 0.66764 0.841149 0.81144 ] [ 0.83236 0.341149 0.18856 ] [ 0.799699 0.305604 0.70326 ] [ 0.700301 0.805604 0.29674 ] [ 0.200301 0.694396 0.29674 ] [ 0.299699 0.194396 0.70326 ] [ 0.738491 0.001954 0.18428 ] [ 0.761509 0.501954 0.81572 ] [ 0.261509 0.998046 0.81572 ] [ 0.238491 0.498046 0.18428 ] [ 0.967483 0.190717 0.973033 ] [ 0.532517 0.690717 0.026967 ] [ 0.032517 0.809283 0.026967 ] [ 0.467483 0.309283 0.973033 ] [ 0.660194 0.298451 0.395601 ] [ 0.839806 0.798451 0.604399 ] [ 0.339806 0.701549 0.604399 ] [ 0.160194 0.201549 0.395601 ] [ 0.566445 0.131531 0.678871 ] [ 0.933555 0.631531 0.321129 ] [ 0.433555 0.868469 0.321129 ] [ 0.066445 0.368469 0.678871 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "V" "V" "V" "V" "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" 6.81682127681 "source-unit" "angstrom" } "b" { "source-value" 7.35253243 "source-unit" "angstrom" } "c" { "source-value" 6.96196617488 "source-unit" "angstrom" } "beta" { "source-value" 116.387929534 "source-unit" "degree" } }