{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.899799 0.618594 ] [ 0.25 0.600201 0.118594 ] [ 0.75 0.399799 0.881406 ] [ 0.25 0.100201 0.381406 ] [ 0.75 0.991814 0.123899 ] [ 0.25 0.508186 0.623899 ] [ 0.75 0.491814 0.376101 ] [ 0.25 0.008186 0.876101 ] [ 0.25 0.769834 0.342331 ] [ 0.75 0.730166 0.842331 ] [ 0.25 0.269834 0.157669 ] [ 0.75 0.230166 0.657669 ] [ 0.75 0.898706 0.957961 ] [ 0.75 0.862354 0.429432 ] [ 0.25 0.893806 0.199215 ] [ 0.25 0.852863 0.753624 ] [ 0.75 0.647137 0.253624 ] [ 0.75 0.606194 0.699215 ] [ 0.25 0.637646 0.929432 ] [ 0.25 0.601294 0.457961 ] [ 0.75 0.398706 0.542039 ] [ 0.75 0.362354 0.070568 ] [ 0.25 0.393806 0.300785 ] [ 0.25 0.352863 0.746376 ] [ 0.75 0.147137 0.246376 ] [ 0.75 0.106194 0.800785 ] [ 0.25 0.137646 0.570568 ] [ 0.25 0.101294 0.042039 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Cr" "Cr" "Cr" "Cr" "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" 2.88177895 "source-unit" "angstrom" } "b" { "source-value" 9.29938275 "source-unit" "angstrom" } "c" { "source-value" 10.21475611 "source-unit" "angstrom" } }