{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.035884 0.020238 0.021844 ] [ 0.028426 0.0277 0.547584 ] [ 0.929994 0.538863 0.287398 ] [ 0.445631 0.413948 0.018513 ] [ 0.445067 0.412534 0.565934 ] [ 0.551403 0.911066 0.790529 ] [ 0.949577 0.518261 0.79245 ] [ 0.475924 0.958815 0.290284 ] [ 0.041791 0.401124 0.579126 ] [ 0.816121 0.679359 0.955033 ] [ 0.732813 0.309522 0.789791 ] [ 0.82139 0.689353 0.636215 ] [ 0.610772 0.051451 0.102145 ] [ 0.573152 0.709707 0.290695 ] [ 0.612607 0.053822 0.477809 ] [ 0.274391 0.133253 0.78393 ] [ 0.316555 0.190696 0.290279 ] [ 0.204466 0.824393 0.290194 ] [ 0.229985 0.650601 0.797775 ] [ 0.042052 0.392294 0.002472 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "W" "W" "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" 6.61586985 "source-unit" "angstrom" } "b" { "source-value" 6.91937585 "source-unit" "angstrom" } "c" { "source-value" 8.06584704 "source-unit" "angstrom" } "alpha" { "source-value" 90.22282808 "source-unit" "degree" } "beta" { "source-value" 90.09071956 "source-unit" "degree" } "gamma" { "source-value" 95.68834728 "source-unit" "degree" } }