{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.511872 0.76018 0.407136 ] [ 0.488128 0.23982 0.592864 ] [ 0.013911 0.870264 0.681442 ] [ 0.986089 0.129736 0.318558 ] [ 0.5 0 0 ] [ 0.987072 0.309838 0.892683 ] [ 0.012928 0.690162 0.107317 ] [ 0.220123 0.977146 0.860597 ] [ 0.794131 0.65345 0.937479 ] [ 0.770056 0.914089 0.521897 ] [ 0.261142 0.813315 0.215349 ] [ 0.203002 0.543063 0.669175 ] [ 0.796998 0.456937 0.330825 ] [ 0.738858 0.186685 0.784651 ] [ 0.229944 0.085911 0.478103 ] [ 0.205868 0.34655 0.062521 ] [ 0.779877 0.022854 0.139403 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "Mn" "Mn" "Mn" "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" 5.04717524 "source-unit" "angstrom" } "b" { "source-value" 5.16560043 "source-unit" "angstrom" } "c" { "source-value" 7.7162295 "source-unit" "angstrom" } "alpha" { "source-value" 75.46590414 "source-unit" "degree" } "beta" { "source-value" 75.80920985 "source-unit" "degree" } "gamma" { "source-value" 81.24602994 "source-unit" "degree" } }