{ "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" [ [ 0.688999 0.44809 0.800482 ] [ 0.311001 0.94809 0.699518 ] [ 0.311001 0.55191 0.199518 ] [ 0.688999 0.05191 0.300482 ] [ 0.06924 0.166301 0.038908 ] [ 0.93076 0.833699 0.961092 ] [ 0.93076 0.666301 0.461092 ] [ 0.06924 0.333699 0.538908 ] [ 0.90949 0.116418 0.71675 ] [ 0.09051 0.616418 0.78325 ] [ 0.09051 0.883582 0.28325 ] [ 0.90949 0.383582 0.21675 ] [ 0.412249 0.273409 0.500034 ] [ 0.412249 0.226591 0.000034 ] [ 0.587751 0.726591 0.499966 ] [ 0.587751 0.773409 0.999966 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.45762987339 "source-unit" "angstrom" } "b" { "source-value" 7.19878894 "source-unit" "angstrom" } "c" { "source-value" 6.89906156984 "source-unit" "angstrom" } "beta" { "source-value" 97.8033605559 "source-unit" "degree" } }