{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.281469 0.518117 0.902269 ] [ 0.537029 0.499569 0.401312 ] [ 0.037029 0.500431 0.401312 ] [ 0.781469 0.481883 0.902269 ] [ 0.430846 0.068758 0.131583 ] [ 0.163989 0.939219 0.628494 ] [ 0.873403 0.934705 0.625745 ] [ 0.140369 0.056627 0.129318 ] [ 0.930846 0.931242 0.131583 ] [ 0.663989 0.060781 0.628494 ] [ 0.640369 0.943373 0.129318 ] [ 0.373403 0.065295 0.625745 ] [ 0.025404 0.59977 0.700052 ] [ 0.785777 0.599977 0.201778 ] [ 0.525404 0.40023 0.700052 ] [ 0.285777 0.400023 0.201778 ] [ 0.029874 0.855841 0.74941 ] [ 0.000758 0.107315 0.002968 ] [ 0.655286 0.398525 0.629963 ] [ 0.892937 0.603511 0.610805 ] [ 0.784087 0.414004 0.296285 ] [ 0.500758 0.892685 0.002968 ] [ 0.046548 0.856811 0.01023 ] [ 0.914664 0.595932 0.130504 ] [ 0.079083 0.8791 0.257506 ] [ 0.392937 0.396489 0.610805 ] [ 0.546548 0.143189 0.01023 ] [ 0.731039 0.873724 0.503107 ] [ 0.811102 0.109057 0.754165 ] [ 0.005734 0.949303 0.505765 ] [ 0.786069 0.153699 0.101112 ] [ 0.286069 0.846301 0.101112 ] [ 0.311102 0.890943 0.754165 ] [ 0.519548 0.876835 0.252291 ] [ 0.579083 0.1209 0.257506 ] [ 0.529874 0.144159 0.74941 ] [ 0.776878 0.124314 0.502956 ] [ 0.514783 0.846644 0.597156 ] [ 0.152778 0.389433 0.113438 ] [ 0.231039 0.126276 0.503107 ] [ 0.652778 0.610567 0.113438 ] [ 0.251813 0.135228 0.748625 ] [ 0.272392 0.049497 0.009096 ] [ 0.772392 0.950503 0.009096 ] [ 0.414664 0.404068 0.130504 ] [ 0.284087 0.585996 0.296285 ] [ 0.276878 0.875686 0.502956 ] [ 0.505734 0.050697 0.505765 ] [ 0.751813 0.864772 0.748625 ] [ 0.019548 0.123165 0.252291 ] [ 0.295875 0.145197 0.252721 ] [ 0.795875 0.854803 0.252721 ] [ 0.155286 0.601475 0.629963 ] [ 0.014783 0.153356 0.597156 ] [ 0.526764 0.585333 0.795346 ] [ 0.026764 0.414667 0.795346 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.1709174144 "source-unit" "angstrom" } "b" { "source-value" 7.76368357 "source-unit" "angstrom" } "c" { "source-value" 14.4573355878 "source-unit" "angstrom" } "beta" { "source-value" 95.5401119108 "source-unit" "degree" } }