{ "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 0.833339 0.5 ] [ 0.5 0.833338 0 ] [ 0.5 0.166662 0 ] [ 0 0.166661 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.333339 0.5 ] [ 0 0.333338 0 ] [ 0 0.666662 0 ] [ 0.5 0.666661 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.833669 0.833845 0.901824 ] [ 0.166331 0.833845 0.098176 ] [ 0.333753 0.166465 0.598149 ] [ 0.333753 0.833535 0.598149 ] [ 0.666247 0.166465 0.401851 ] [ 0.166834 0 0.401848 ] [ 0.666247 0.833535 0.401851 ] [ 0.833669 0.166155 0.901824 ] [ 0.332338 0 0.901775 ] [ 0.166331 0.166155 0.098176 ] [ 0.667662 0 0.098225 ] [ 0.833166 0 0.598152 ] [ 0.333669 0.333845 0.901824 ] [ 0.666331 0.333845 0.098176 ] [ 0.833753 0.666465 0.598149 ] [ 0.833753 0.333535 0.598149 ] [ 0.166247 0.666465 0.401851 ] [ 0.666834 0.5 0.401848 ] [ 0.166247 0.333535 0.401851 ] [ 0.333669 0.666155 0.901824 ] [ 0.832338 0.5 0.901775 ] [ 0.666331 0.666155 0.098176 ] [ 0.167662 0.5 0.098225 ] [ 0.333166 0.5 0.598152 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.89660431 "source-unit" "angstrom" } "b" { "source-value" 8.49257639 "source-unit" "angstrom" } "c" { "source-value" 9.6179893 "source-unit" "angstrom" } "beta" { "source-value" 90.04968656 "source-unit" "degree" } }