{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.869552 ] [ 0.25 0 0.630448 ] [ 0.75 0 0.369552 ] [ 0.75 0.5 0.130448 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.75 0.788469 0.996872 ] [ 0.25 0.711531 0.496872 ] [ 0.983258 0 0.770996 ] [ 0.516742 0 0.770996 ] [ 0.983258 0.5 0.729004 ] [ 0.516742 0.5 0.729004 ] [ 0.25 0.788469 0.003128 ] [ 0.75 0.711531 0.503128 ] [ 0.25 0.288469 0.496872 ] [ 0.75 0.211531 0.996872 ] [ 0.483258 0.5 0.270996 ] [ 0.016742 0.5 0.270996 ] [ 0.483258 0 0.229004 ] [ 0.016742 0 0.229004 ] [ 0.75 0.288469 0.503128 ] [ 0.25 0.211531 0.003128 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "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" 5.77566249 "source-unit" "angstrom" } "b" { "source-value" 5.92217954 "source-unit" "angstrom" } "c" { "source-value" 8.26796019 "source-unit" "angstrom" } }