{ "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" [ [ 0.263046 0 0.949946 ] [ 0.736954 0 0.050054 ] [ 0.763046 0.5 0.949946 ] [ 0.236954 0.5 0.050054 ] [ 0.032925 0.748961 0.762511 ] [ 0.967075 0.748961 0.237489 ] [ 0.967075 0.251039 0.237489 ] [ 0.032925 0.251039 0.762511 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.532925 0.248961 0.762511 ] [ 0.467075 0.248961 0.237489 ] [ 0.467075 0.751039 0.237489 ] [ 0.532925 0.751039 0.762511 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.207015 0.714564 0.779942 ] [ 0.792985 0.714564 0.220058 ] [ 0.792985 0.285436 0.220058 ] [ 0.207015 0.285436 0.779942 ] [ 0.091685 0.219062 0.452692 ] [ 0.908315 0.219062 0.547308 ] [ 0.908315 0.780938 0.547308 ] [ 0.091685 0.780938 0.452692 ] [ 0.908951 0.729406 0.933238 ] [ 0.091049 0.729406 0.066762 ] [ 0.091049 0.270594 0.066762 ] [ 0.908951 0.270594 0.933238 ] [ 0.06849 0 0.79546 ] [ 0.93151 0 0.20454 ] [ 0.461018 0 0.271471 ] [ 0.538982 0 0.728529 ] [ 0.267508 0 0.575314 ] [ 0.732492 0 0.424686 ] [ 0.707015 0.214564 0.779942 ] [ 0.292985 0.214564 0.220058 ] [ 0.292985 0.785436 0.220058 ] [ 0.707015 0.785436 0.779942 ] [ 0.591685 0.719062 0.452692 ] [ 0.408315 0.719062 0.547308 ] [ 0.408315 0.280938 0.547308 ] [ 0.591685 0.280938 0.452692 ] [ 0.408951 0.229406 0.933238 ] [ 0.591049 0.229406 0.066762 ] [ 0.591049 0.770594 0.066762 ] [ 0.408951 0.770594 0.933238 ] [ 0.56849 0.5 0.79546 ] [ 0.43151 0.5 0.20454 ] [ 0.961018 0.5 0.271471 ] [ 0.038982 0.5 0.728529 ] [ 0.767508 0.5 0.575314 ] [ 0.232492 0.5 0.424686 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "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" "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" 12.5762239437 "source-unit" "angstrom" } "b" { "source-value" 7.69802796574 "source-unit" "angstrom" } "c" { "source-value" 6.61783757234 "source-unit" "angstrom" } "beta" { "source-value" 93.8585235003 "source-unit" "degree" } }