{ "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 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.729809 0 0.248123 ] [ 0.222203 0 0.220103 ] [ 0.003896 0.231992 0.780746 ] [ 0.270191 0 0.751877 ] [ 0.003896 0.768008 0.780746 ] [ 0.777797 0 0.779897 ] [ 0.996104 0.768008 0.219254 ] [ 0.996104 0.231992 0.219254 ] [ 0.229809 0.5 0.248123 ] [ 0.722203 0.5 0.220103 ] [ 0.503896 0.731992 0.780746 ] [ 0.770191 0.5 0.751877 ] [ 0.503896 0.268008 0.780746 ] [ 0.277797 0.5 0.779897 ] [ 0.496104 0.268008 0.219254 ] [ 0.496104 0.731992 0.219254 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Te" "Te" "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" 10.53615099 "source-unit" "angstrom" } "b" { "source-value" 6.12787397 "source-unit" "angstrom" } "c" { "source-value" 6.14008926 "source-unit" "angstrom" } "beta" { "source-value" 123.95995982 "source-unit" "degree" } }