{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.515594 0.209089 0.248015 ] [ 0.484406 0.290911 0.748015 ] [ 0.984406 0.709089 0.751985 ] [ 0.015594 0.790911 0.251985 ] [ 0.015594 0.290911 0.248015 ] [ 0.484406 0.790911 0.751985 ] [ 0.515594 0.709089 0.251985 ] [ 0.984406 0.209089 0.748015 ] [ 0.248902 0.509627 0.929732 ] [ 0.751098 0.990373 0.429732 ] [ 0.251098 0.009627 0.070268 ] [ 0.748902 0.990373 0.929732 ] [ 0.251098 0.509627 0.429732 ] [ 0.748902 0.490373 0.570268 ] [ 0.248902 0.009627 0.570268 ] [ 0.751098 0.490373 0.070268 ] [ 0.750072 0.482506 0.352177 ] [ 0.750072 0.982506 0.147823 ] [ 0.250072 0.017494 0.352177 ] [ 0.749928 0.482506 0.852177 ] [ 0.249928 0.017494 0.852177 ] [ 0.250072 0.517494 0.147823 ] [ 0.749928 0.982506 0.647823 ] [ 0.249928 0.517494 0.647823 ] [ 0.398286 0.144252 0.404839 ] [ 0.101714 0.644252 0.595161 ] [ 0.118066 0.373837 0.095227 ] [ 0.618066 0.626163 0.404773 ] [ 0.898286 0.855748 0.095161 ] [ 0.898286 0.355748 0.404839 ] [ 0.26627 0.534791 0.750851 ] [ 0.76627 0.965209 0.750851 ] [ 0.23373 0.034791 0.249149 ] [ 0.73373 0.465209 0.249149 ] [ 0.76627 0.465209 0.749149 ] [ 0.101714 0.144252 0.904839 ] [ 0.118066 0.873837 0.404773 ] [ 0.23373 0.534791 0.250851 ] [ 0.601714 0.855748 0.595161 ] [ 0.26627 0.034791 0.749149 ] [ 0.601714 0.355748 0.904839 ] [ 0.381934 0.373837 0.595227 ] [ 0.381934 0.873837 0.904773 ] [ 0.618066 0.126163 0.095227 ] [ 0.398286 0.644252 0.095161 ] [ 0.881934 0.126163 0.595227 ] [ 0.881934 0.626163 0.904773 ] [ 0.73373 0.965209 0.250851 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.12726625 "source-unit" "angstrom" } "b" { "source-value" 6.23753383 "source-unit" "angstrom" } "c" { "source-value" 13.3448373 "source-unit" "angstrom" } }