{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.172973 0.25 ] [ 0 0.827027 0.75 ] [ 0.5 0.672973 0.25 ] [ 0.5 0.327027 0.75 ] [ 0 0.146353 0.557849 ] [ 0 0.146353 0.942151 ] [ 0 0.853647 0.057849 ] [ 0 0.853647 0.442151 ] [ 0.5 0.646353 0.557849 ] [ 0.5 0.646353 0.942151 ] [ 0.5 0.353647 0.057849 ] [ 0.5 0.353647 0.442151 ] [ 0.5 0.824157 0.453304 ] [ 0.5 0.824157 0.046696 ] [ 0.5 0.175843 0.953304 ] [ 0.5 0.175843 0.546696 ] [ 0 0.324157 0.453304 ] [ 0 0.324157 0.046696 ] [ 0 0.675843 0.953304 ] [ 0 0.675843 0.546696 ] [ 0 0.039771 0.118046 ] [ 0 0.039771 0.381954 ] [ 0 0.23699 0.75 ] [ 0 0.76301 0.25 ] [ 0 0.960229 0.618046 ] [ 0 0.960229 0.881954 ] [ 0.5 0.539771 0.118046 ] [ 0.5 0.539771 0.381954 ] [ 0.5 0.73699 0.75 ] [ 0.5 0.26301 0.25 ] [ 0.5 0.460229 0.618046 ] [ 0.5 0.460229 0.881954 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.64924287 "source-unit" "angstrom" } "b" { "source-value" 9.94429596 "source-unit" "angstrom" } "c" { "source-value" 10.35343709 "source-unit" "angstrom" } }