{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.02385 0.75 0.718802 ] [ 0.47615 0.75 0.218802 ] [ 0.97615 0.25 0.281198 ] [ 0.52385 0.25 0.781198 ] [ 0.587407 0.75 0.907444 ] [ 0.912593 0.75 0.407444 ] [ 0.412593 0.25 0.092556 ] [ 0.087407 0.25 0.592556 ] [ 0.733547 0.25 0.096583 ] [ 0.219828 0.450384 0.66162 ] [ 0.719828 0.549616 0.83838 ] [ 0.780172 0.950384 0.33838 ] [ 0.280172 0.049616 0.16162 ] [ 0.780172 0.549616 0.33838 ] [ 0.280172 0.450384 0.16162 ] [ 0.219828 0.049616 0.66162 ] [ 0.266453 0.75 0.903417 ] [ 0.766453 0.25 0.596583 ] [ 0.719828 0.950384 0.83838 ] [ 0.233547 0.75 0.403417 ] [ 0.709287 0.75 0.043469 ] [ 0.290713 0.25 0.956531 ] [ 0.209287 0.25 0.456531 ] [ 0.790713 0.75 0.543469 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 4.79024383 "source-unit" "angstrom" } "b" { "source-value" 6.17703581 "source-unit" "angstrom" } "c" { "source-value" 10.60716821 "source-unit" "angstrom" } }