{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0 ] [ 0.979155 0.76413 0.210327 ] [ 0.520845 0.73587 0.789673 ] [ 0.520845 0.26413 0.789673 ] [ 0.979155 0.23587 0.210327 ] [ 0.76658 0 0.804593 ] [ 0.73342 0.5 0.195407 ] [ 0.747172 0 0.205891 ] [ 0.752828 0.5 0.794109 ] [ 0.479155 0.26413 0.210327 ] [ 0.020845 0.23587 0.789673 ] [ 0.020845 0.76413 0.789673 ] [ 0.479155 0.73587 0.210327 ] [ 0.26658 0.5 0.804593 ] [ 0.23342 0 0.195407 ] [ 0.247172 0.5 0.205891 ] [ 0.252828 0 0.794109 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 9.84485308 "source-unit" "angstrom" } "b" { "source-value" 5.67828089 "source-unit" "angstrom" } "c" { "source-value" 5.85715941 "source-unit" "angstrom" } "beta" { "source-value" 124.00972797 "source-unit" "degree" } }