{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.645929 0.25 0.287456 ] [ 0.354071 0.75 0.712544 ] [ 0.951697 0.25 0.8224 ] [ 0.048303 0.75 0.1776 ] [ 0.849229 0.052869 0.70502 ] [ 0.849229 0.447131 0.70502 ] [ 0.743709 0.75 0.127564 ] [ 0.256291 0.25 0.872436 ] [ 0.150771 0.552869 0.29498 ] [ 0.150771 0.947131 0.29498 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cl" "Cl" "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" 5.2126978 "source-unit" "angstrom" } "b" { "source-value" 6.15097544 "source-unit" "angstrom" } "c" { "source-value" 7.78312767 "source-unit" "angstrom" } "beta" { "source-value" 108.86508977 "source-unit" "degree" } }