{ "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" [ [ 0.59603 0.930541 0.620671 ] [ 0.032021 0.684905 0.128374 ] [ 0.40397 0.069459 0.379329 ] [ 0.967979 0.315095 0.871626 ] [ 0.294148 0.631115 0.765963 ] [ 0.5 0.5 0.5 ] [ 0.705852 0.368885 0.234037 ] [ 0 0 0 ] [ 0.775988 0.094783 0.966828 ] [ 0.728391 0.158213 0.257411 ] [ 0.271609 0.841787 0.742589 ] [ 0.768506 0.800023 0.030128 ] [ 0.613146 0.188584 0.74144 ] [ 0.313726 0.416758 0.786784 ] [ 0.686274 0.583242 0.213216 ] [ 0.296855 0.620483 0.497275 ] [ 0.231494 0.199977 0.969872 ] [ 0.758629 0.723814 0.521726 ] [ 0.224012 0.905217 0.033172 ] [ 0.733785 0.049473 0.486311 ] [ 0.609112 0.723953 0.749683 ] [ 0.956684 0.055088 0.725189 ] [ 0.241371 0.276186 0.478274 ] [ 0.386854 0.811416 0.25856 ] [ 0.976451 0.53806 0.781772 ] [ 0.756989 0.434201 0.974846 ] [ 0.243011 0.565799 0.025154 ] [ 0.023549 0.46194 0.218228 ] [ 0.390888 0.276047 0.250317 ] [ 0.266215 0.950527 0.513689 ] [ 0.703145 0.379517 0.502725 ] [ 0.043316 0.944912 0.274811 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Au" "Au" "Au" "Au" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.69230874969 "source-unit" "angstrom" } "b" { "source-value" 10.1724242708 "source-unit" "angstrom" } "c" { "source-value" 14.3446690265 "source-unit" "angstrom" } "alpha" { "source-value" 103.907288626 "source-unit" "degree" } "beta" { "source-value" 96.2856813165 "source-unit" "degree" } "gamma" { "source-value" 111.830697781 "source-unit" "degree" } }