{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.3887 0.846802 0.12881 ] [ 0.598732 0.153238 0.873813 ] [ 0.498006 0.998952 0.501748 ] [ 0.00227 0.500365 0.000071 ] [ 0.110524 0.251656 0.663829 ] [ 0.372741 0.23615 0.15585 ] [ 0.624887 0.757233 0.841408 ] [ 0.88479 0.750517 0.336563 ] [ 0.452518 0.479667 0.604873 ] [ 0.549985 0.51474 0.381282 ] [ 0.956695 0.978798 0.985769 ] [ 0.98898 0.700434 0.168516 ] [ 0.129898 0.8433 0.445207 ] [ 0.179121 0.368068 0.167389 ] [ 0.253302 0.437268 0.577686 ] [ 0.368853 0.66894 0.943649 ] [ 0.546873 0.815788 0.672214 ] [ 0.252049 0.058929 0.056183 ] [ 0.332362 0.138924 0.683886 ] [ 0.663194 0.863211 0.316139 ] [ 0.753174 0.940982 0.943479 ] [ 0.449555 0.186914 0.330889 ] [ 0.634032 0.335331 0.060141 ] [ 0.740249 0.564965 0.423499 ] [ 0.825372 0.632199 0.831755 ] [ 0.864856 0.158369 0.555518 ] [ 0.004444 0.300247 0.831807 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "H" "H" "H" "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" 4.94432576 "source-unit" "angstrom" } "b" { "source-value" 7.56725929 "source-unit" "angstrom" } "c" { "source-value" 8.1575908 "source-unit" "angstrom" } "alpha" { "source-value" 90.44871951 "source-unit" "degree" } "beta" { "source-value" 91.14049414 "source-unit" "degree" } "gamma" { "source-value" 103.6889054 "source-unit" "degree" } }