{ "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" [ [ 0.244215 0.5 0.706388 ] [ 0.755785 0.5 0.293612 ] [ 0 0 0 ] [ 0.744215 0 0.706388 ] [ 0.255785 0 0.293612 ] [ 0.5 0.5 0 ] [ 0.863306 0.5 0.023693 ] [ 0.136694 0.5 0.976307 ] [ 0.888833 0 0.54746 ] [ 0.111167 0 0.45254 ] [ 0.363306 0 0.023693 ] [ 0.636694 0 0.976307 ] [ 0.388833 0.5 0.54746 ] [ 0.611167 0.5 0.45254 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.033435583 "source-unit" "angstrom" } "b" { "source-value" 3.96052850731 "source-unit" "angstrom" } "c" { "source-value" 6.87439263252 "source-unit" "angstrom" } "beta" { "source-value" 117.538324202 "source-unit" "degree" } }