{ "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" [ [ 0.298595 0.391196 0.030612 ] [ 0.701405 0.608804 0.969388 ] [ 0.454905 0.91058 0.19933 ] [ 0.954905 0.58942 0.69933 ] [ 0.545095 0.08942 0.80067 ] [ 0.798595 0.108804 0.530612 ] [ 0.201405 0.891196 0.469388 ] [ 0.045095 0.41058 0.30067 ] [ 0.61023 0.780813 0.608006 ] [ 0.345221 0.504951 0.652513 ] [ 0.88977 0.280813 0.891994 ] [ 0.38977 0.219187 0.391994 ] [ 0.11023 0.719187 0.108006 ] [ 0.154779 0.004951 0.847487 ] [ 0.845221 0.995049 0.152513 ] [ 0.805398 0.724069 0.333329 ] [ 0.194602 0.275931 0.666671 ] [ 0.694602 0.224069 0.166671 ] [ 0.654779 0.495049 0.347487 ] [ 0.305398 0.775931 0.833329 ] [ 0.471484 0.601206 0.42719 ] [ 0.971484 0.898794 0.92719 ] [ 0.028516 0.101206 0.07281 ] [ 0.528516 0.398794 0.57281 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.0128982128 "source-unit" "angstrom" } "b" { "source-value" 9.61477121 "source-unit" "angstrom" } "c" { "source-value" 11.5323838631 "source-unit" "angstrom" } "beta" { "source-value" 117.426591872 "source-unit" "degree" } }