{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.202428 0.965249 0.221251 ] [ 0.797572 0.034751 0.778749 ] [ 0.435669 0.56263 0.194732 ] [ 0.833458 0.349231 0.148589 ] [ 0.564331 0.43737 0.805268 ] [ 0.166542 0.650769 0.851411 ] [ 0.146938 0.801823 0.54402 ] [ 0.853062 0.198177 0.45598 ] [ 0.902655 0.46529 0.821405 ] [ 0.521768 0.374444 0.183287 ] [ 0.840051 0.154325 0.07858 ] [ 0.478232 0.625556 0.816713 ] [ 0.630271 0.763482 0.209854 ] [ 0.369729 0.236518 0.790146 ] [ 0.159949 0.845675 0.92142 ] [ 0.097345 0.53471 0.178595 ] ] } "species" { "source-value" [ "Ce" "Ce" "B" "B" "B" "B" "Cl" "Cl" "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" 4.25072878986 "source-unit" "angstrom" } "b" { "source-value" 6.65973064943 "source-unit" "angstrom" } "c" { "source-value" 8.20377060748 "source-unit" "angstrom" } "alpha" { "source-value" 98.0465974335 "source-unit" "degree" } "beta" { "source-value" 89.0597342134 "source-unit" "degree" } "gamma" { "source-value" 107.586861672 "source-unit" "degree" } }