{ "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" [ [ 0.918051 0.169405 0.685177 ] [ 0.081949 0.830595 0.314823 ] [ 0.424829 0.170641 0.685999 ] [ 0.575171 0.829359 0.314001 ] [ 0.904408 0.649865 0.623879 ] [ 0.095592 0.350135 0.376121 ] [ 0.40809 0.64967 0.624881 ] [ 0.59191 0.35033 0.375119 ] [ 0.742672 0.607994 0.96575 ] [ 0.257328 0.392006 0.03425 ] [ 0.234059 0.837494 0.936317 ] [ 0.765941 0.162506 0.063683 ] [ 0.649718 0.436512 0.595777 ] [ 0.350282 0.563488 0.404223 ] [ 0.148081 0.43669 0.595426 ] [ 0.851919 0.56331 0.404574 ] [ 0.654801 0.838301 0.620552 ] [ 0.345199 0.161699 0.379448 ] [ 0.159739 0.841086 0.636156 ] [ 0.840261 0.158914 0.363844 ] [ 0.961469 0.657073 0.832602 ] [ 0.038531 0.342927 0.167398 ] [ 0.455 0.655267 0.833238 ] [ 0.545 0.344733 0.166762 ] [ 0.730008 0.309751 0.904512 ] [ 0.269992 0.690249 0.095488 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "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" 6.79955021087 "source-unit" "angstrom" } "b" { "source-value" 7.47978127186 "source-unit" "angstrom" } "c" { "source-value" 10.6496515789 "source-unit" "angstrom" } "alpha" { "source-value" 102.01456487 "source-unit" "degree" } "beta" { "source-value" 99.1755494139 "source-unit" "degree" } "gamma" { "source-value" 90.0141803972 "source-unit" "degree" } }