{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.497453 0 ] [ 0.5 0.997453 0 ] [ 0 0.002693 0 ] [ 0 0.500628 0.5 ] [ 0.5 0.502693 0 ] [ 0.5 0.000628 0.5 ] [ 0.750325 0.249545 0.248912 ] [ 0.249675 0.249545 0.751088 ] [ 0.250325 0.749545 0.248912 ] [ 0.749675 0.749545 0.751088 ] [ 0.928953 0.625609 0.746936 ] [ 0.053698 0.149309 0.794429 ] [ 0.774386 0.87283 0.933658 ] [ 0.273615 0.852321 0.436088 ] [ 0.225614 0.87283 0.066342 ] [ 0.726385 0.852321 0.563912 ] [ 0.946302 0.149309 0.205571 ] [ 0.071047 0.625609 0.253064 ] [ 0.428953 0.125609 0.746936 ] [ 0.553698 0.649309 0.794429 ] [ 0.274386 0.37283 0.933658 ] [ 0.773615 0.352321 0.436088 ] [ 0.725614 0.37283 0.066342 ] [ 0.226385 0.352321 0.563912 ] [ 0.446302 0.649309 0.205571 ] [ 0.571047 0.125609 0.253064 ] ] } "species" { "source-value" [ "Li" "Li" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "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" 6.76170158 "source-unit" "angstrom" } "b" { "source-value" 7.78042407 "source-unit" "angstrom" } "c" { "source-value" 6.87061639 "source-unit" "angstrom" } "beta" { "source-value" 90.0590208 "source-unit" "degree" } }