{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1mn" } "basis-atom-coordinates" { "source-value" [ [ 0.399842 0.267711 0.21807 ] [ 0.399842 0.732289 0.21807 ] [ 0.968276 0.5 0.422778 ] [ 0.468276 0 0.577222 ] [ 0.899842 0.767711 0.78193 ] [ 0.899842 0.232289 0.78193 ] [ 0.478052 0.5 0.823328 ] [ 0.978052 0 0.176672 ] [ 0.531487 0 0.909992 ] [ 0.031487 0.5 0.090008 ] [ 0.989858 0 0.487458 ] [ 0.489858 0.5 0.512542 ] [ 0.988468 0.312135 0.201921 ] [ 0.988468 0.687865 0.201921 ] [ 0.200999 0 0.404167 ] [ 0.774334 0 0.411579 ] [ 0.503234 0.5 0.358351 ] [ 0.003234 0 0.641649 ] [ 0.274334 0.5 0.588421 ] [ 0.700999 0.5 0.595833 ] [ 0.488468 0.187865 0.798079 ] [ 0.488468 0.812135 0.798079 ] [ 0.320469 0.5 0.048617 ] [ 0.874819 0.5 0.934102 ] [ 0.374819 0 0.065898 ] [ 0.820469 0 0.951383 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.28731284 "source-unit" "angstrom" } "b" { "source-value" 6.531865 "source-unit" "angstrom" } "c" { "source-value" 8.33234467 "source-unit" "angstrom" } }