{ "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" [ [ 0.645602 0 0.351471 ] [ 0 0.787716 0.5 ] [ 0 0.212284 0.5 ] [ 0 0.741975 0 ] [ 0 0.258025 0 ] [ 0.354398 0 0.648529 ] [ 0.145602 0.5 0.351471 ] [ 0.5 0.287716 0.5 ] [ 0.5 0.712284 0.5 ] [ 0.5 0.241975 0 ] [ 0.5 0.758025 0 ] [ 0.854398 0.5 0.648529 ] [ 0.818692 0 0.846295 ] [ 0.181308 0 0.153705 ] [ 0.318692 0.5 0.846295 ] [ 0.681308 0.5 0.153705 ] [ 0.898032 0 0.146687 ] [ 0.686344 0.860512 0.731216 ] [ 0.686344 0.139488 0.731216 ] [ 0.313656 0.139488 0.268784 ] [ 0.313656 0.860512 0.268784 ] [ 0.101968 0 0.853313 ] [ 0.398032 0.5 0.146687 ] [ 0.186344 0.360512 0.731216 ] [ 0.186344 0.639488 0.731216 ] [ 0.813656 0.639488 0.268784 ] [ 0.813656 0.360512 0.268784 ] [ 0.601968 0.5 0.853313 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "La" "La" "La" "La" "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" 8.21472218 "source-unit" "angstrom" } "b" { "source-value" 13.26339042 "source-unit" "angstrom" } "c" { "source-value" 7.83448545 "source-unit" "angstrom" } "beta" { "source-value" 98.98940424 "source-unit" "degree" } }