{ "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 0.326559 0.75 ] [ 0 0.673441 0.25 ] [ 0.5 0.826559 0.75 ] [ 0.5 0.173441 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.347693 0.25 ] [ 0 0.652307 0.75 ] [ 0.5 0.847693 0.25 ] [ 0.5 0.152307 0.75 ] [ 0.260141 0.027572 0.75 ] [ 0.260141 0.972428 0.25 ] [ 0 0.230764 0.036987 ] [ 0 0.230764 0.463013 ] [ 0 0.769236 0.536987 ] [ 0 0.769236 0.963013 ] [ 0.739859 0.972428 0.25 ] [ 0.739859 0.027572 0.75 ] [ 0.760141 0.527572 0.75 ] [ 0.760141 0.472428 0.25 ] [ 0.5 0.730764 0.036987 ] [ 0.5 0.730764 0.463013 ] [ 0.5 0.269236 0.536987 ] [ 0.5 0.269236 0.963013 ] [ 0.239859 0.472428 0.25 ] [ 0.239859 0.527572 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "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" 5.50251582 "source-unit" "angstrom" } "b" { "source-value" 8.09518254 "source-unit" "angstrom" } "c" { "source-value" 6.26044442 "source-unit" "angstrom" } }