{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.095769 0 0.791721 ] [ 0.404231 0.5 0.208279 ] [ 0.595769 0.5 0.791721 ] [ 0.904231 0 0.208279 ] [ 0.222055 0.5 0.641728 ] [ 0.277945 0 0.358272 ] [ 0.5 0 0 ] [ 0.722055 0 0.641728 ] [ 0.777945 0.5 0.358272 ] [ 0 0.5 0 ] [ 0.509425 0.27551 0.283203 ] [ 0.990575 0.22449 0.716797 ] [ 0.490575 0.27551 0.716797 ] [ 0.009425 0.22449 0.283203 ] [ 0.278263 0.5 0.288575 ] [ 0.221737 0 0.711425 ] [ 0.175959 0 0.017374 ] [ 0.324041 0.5 0.982626 ] [ 0.009425 0.77551 0.283203 ] [ 0.490575 0.72449 0.716797 ] [ 0.990575 0.77551 0.716797 ] [ 0.509425 0.72449 0.283203 ] [ 0.778263 0 0.288575 ] [ 0.721737 0.5 0.711425 ] [ 0.675959 0.5 0.017374 ] [ 0.824041 0 0.982626 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "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" 9.5436449278 "source-unit" "angstrom" } "b" { "source-value" 5.64109991 "source-unit" "angstrom" } "c" { "source-value" 7.58101419868 "source-unit" "angstrom" } "beta" { "source-value" 115.066424855 "source-unit" "degree" } }