{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnb" } "basis-atom-coordinates" { "source-value" [ [ 0.950571 0.679537 0.625312 ] [ 0.549429 0.179537 0.625312 ] [ 0.450571 0.320463 0.125312 ] [ 0.450571 0.820463 0.374688 ] [ 0.950571 0.179537 0.874688 ] [ 0.549429 0.679537 0.874688 ] [ 0.049429 0.820463 0.125312 ] [ 0.049429 0.320463 0.374688 ] [ 0.381107 0.669843 0.056699 ] [ 0.118893 0.169843 0.056699 ] [ 0.25 0.518041 0.25 ] [ 0.75 0.481959 0.75 ] [ 0.75 0.981959 0.75 ] [ 0.118893 0.669843 0.443301 ] [ 0.381107 0.169843 0.443301 ] [ 0.881107 0.830157 0.943301 ] [ 0.618893 0.330157 0.943301 ] [ 0.618893 0.830157 0.556699 ] [ 0.881107 0.330157 0.556699 ] [ 0.25 0.018041 0.25 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 5.25405129 "source-unit" "angstrom" } "b" { "source-value" 5.72459972 "source-unit" "angstrom" } "c" { "source-value" 12.81170353 "source-unit" "angstrom" } }