{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.480939 0.065208 0.750291 ] [ 0.019061 0.565208 0.749709 ] [ 0.519061 0.934792 0.249709 ] [ 0.980939 0.434792 0.250291 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.932705 0.979204 0.840051 ] [ 0.567295 0.479204 0.659949 ] [ 0.067295 0.020796 0.159949 ] [ 0.432705 0.520796 0.340051 ] [ 0.199691 0.876557 0.969858 ] [ 0.300309 0.376557 0.530142 ] [ 0.800309 0.123443 0.030142 ] [ 0.699691 0.623443 0.469858 ] [ 0.879284 0.807218 0.037884 ] [ 0.620716 0.307218 0.462116 ] [ 0.120716 0.192782 0.962116 ] [ 0.379284 0.692782 0.537884 ] [ 0.889566 0.963524 0.740162 ] [ 0.610434 0.463524 0.759838 ] [ 0.110434 0.036476 0.259838 ] [ 0.389566 0.536476 0.240162 ] [ 0.325094 0.800434 0.949445 ] [ 0.174906 0.300434 0.550555 ] [ 0.674906 0.199566 0.050555 ] [ 0.825094 0.699566 0.449445 ] [ 0.8035 0.687098 0.06247 ] [ 0.6965 0.187098 0.43753 ] [ 0.1965 0.312902 0.93753 ] [ 0.3035 0.812902 0.56247 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "K" "K" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.74645099179 "source-unit" "angstrom" } "b" { "source-value" 8.16632782 "source-unit" "angstrom" } "c" { "source-value" 11.2279930365 "source-unit" "angstrom" } "beta" { "source-value" 90.2007428139 "source-unit" "degree" } }