{ "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" [ [ 0.445596 0.766159 0.197762 ] [ 0.740714 0.599498 0.397422 ] [ 0.937718 0.978421 0.004796 ] [ 0.141922 0.277342 0.600296 ] [ 0.521991 0.089012 0.798746 ] [ 0.414561 0.759619 0.04619 ] [ 0.064476 0.084992 0.132173 ] [ 0.575667 0.091308 0.626452 ] [ 0.361843 0.917643 0.327954 ] [ 0.124798 0.285035 0.478709 ] [ 0.096303 0.07121 0.861298 ] [ 0.873268 0.716906 0.562799 ] [ 0.051668 0.91477 0.713278 ] [ 0.387426 0.563936 0.751009 ] [ 0.486361 0.777924 0.899471 ] [ 0.726488 0.391826 0.990044 ] ] } "species" { "source-value" [ "K" "K" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.25539653 "source-unit" "angstrom" } "b" { "source-value" 4.29376365 "source-unit" "angstrom" } "c" { "source-value" 17.65781306 "source-unit" "angstrom" } "alpha" { "source-value" 91.96682874 "source-unit" "degree" } "beta" { "source-value" 95.70462996 "source-unit" "degree" } "gamma" { "source-value" 116.59071265 "source-unit" "degree" } }