{ "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" [ [ 0.096344 0.651491 0.285262 ] [ 0.403656 0.151491 0.214738 ] [ 0.903656 0.348509 0.714738 ] [ 0.596344 0.848509 0.785262 ] [ 0.6115 0.661943 0.303718 ] [ 0.8885 0.161943 0.196282 ] [ 0.3885 0.338057 0.696282 ] [ 0.1115 0.838057 0.803718 ] [ 0.721101 0.711921 0.117109 ] [ 0.778899 0.211921 0.382891 ] [ 0.278899 0.288079 0.882891 ] [ 0.221101 0.788079 0.617109 ] [ 0.424517 0.495518 0.255218 ] [ 0.075483 0.995518 0.244782 ] [ 0.575483 0.504482 0.744782 ] [ 0.924517 0.004482 0.755218 ] [ 0.997086 0.656951 0.892985 ] [ 0.502914 0.156951 0.607015 ] [ 0.002914 0.343049 0.107015 ] [ 0.497086 0.843049 0.392985 ] [ 0.329949 0.894544 0.981426 ] [ 0.170051 0.394544 0.518574 ] [ 0.670051 0.105456 0.018574 ] [ 0.829949 0.605456 0.481426 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "As" "As" "As" "As" "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" 6.8325311363 "source-unit" "angstrom" } "b" { "source-value" 7.21008688 "source-unit" "angstrom" } "c" { "source-value" 7.08829456639 "source-unit" "angstrom" } "beta" { "source-value" 105.102034784 "source-unit" "degree" } }