{ "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 0.86496 0.25 ] [ 0 0.13504 0.75 ] [ 0.5 0.36496 0.25 ] [ 0.5 0.63504 0.75 ] [ 0.5 0.999905 0.25 ] [ 0.5 0.000095 0.75 ] [ 0 0.499905 0.25 ] [ 0 0.500095 0.75 ] [ 0.803549 0.937516 0.734089 ] [ 0.378 0.823615 0.410547 ] [ 0.622 0.823615 0.089453 ] [ 0.378 0.176385 0.910547 ] [ 0.803549 0.062484 0.234089 ] [ 0.622 0.176385 0.589453 ] [ 0.196451 0.937516 0.765911 ] [ 0.196451 0.062484 0.265911 ] [ 0.303549 0.437516 0.734089 ] [ 0.878 0.323615 0.410547 ] [ 0.122 0.323615 0.089453 ] [ 0.878 0.676385 0.910547 ] [ 0.303549 0.562484 0.234089 ] [ 0.122 0.676385 0.589453 ] [ 0.696451 0.437516 0.765911 ] [ 0.696451 0.562484 0.265911 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ce" "Ce" "Ce" "Ce" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3103791923 "source-unit" "angstrom" } "b" { "source-value" 14.9847873974 "source-unit" "angstrom" } "c" { "source-value" 7.49600984104 "source-unit" "angstrom" } "beta" { "source-value" 124.492700357 "source-unit" "degree" } }