{ "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" [ [ 0.354372 0.320154 0.925542 ] [ 0.944335 0.627807 0.844807 ] [ 0.370231 0.806888 0.808336 ] [ 0.629769 0.306888 0.691664 ] [ 0.055665 0.127807 0.655193 ] [ 0.645628 0.820154 0.574458 ] [ 0.354372 0.179846 0.425542 ] [ 0.944335 0.872193 0.344807 ] [ 0.370231 0.693112 0.308336 ] [ 0.629769 0.193112 0.191664 ] [ 0.055665 0.372193 0.155193 ] [ 0.645628 0.679846 0.074458 ] [ 0.83789 0.090064 0.932462 ] [ 0.16211 0.590064 0.567538 ] [ 0.83789 0.409936 0.432462 ] [ 0.16211 0.909936 0.067538 ] [ 0.746305 0.354707 0.962942 ] [ 0.100833 0.042131 0.901048 ] [ 0.695274 0.937062 0.809092 ] [ 0.304726 0.437062 0.690908 ] [ 0.899167 0.542131 0.598952 ] [ 0.253695 0.854707 0.537058 ] [ 0.746305 0.145293 0.462942 ] [ 0.100833 0.457869 0.401048 ] [ 0.695274 0.562938 0.309092 ] [ 0.304726 0.062938 0.190908 ] [ 0.899167 0.957869 0.098952 ] [ 0.253695 0.645293 0.037058 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Tl" "Tl" "Tl" "Tl" "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" 8.35796006 "source-unit" "angstrom" } "b" { "source-value" 7.49379596 "source-unit" "angstrom" } "c" { "source-value" 12.19125656 "source-unit" "angstrom" } "beta" { "source-value" 94.88458144 "source-unit" "degree" } }