{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.126844 0.650994 0 ] [ 0.626844 0.349006 0.5 ] [ 0.129829 0.175619 0.251751 ] [ 0.629829 0.824381 0.248249 ] [ 0.129829 0.175619 0.748249 ] [ 0.629829 0.824381 0.751751 ] [ 0.122803 0.681193 0.5 ] [ 0.622803 0.318807 0 ] [ 0.034524 0.359434 0.5 ] [ 0.465463 0.70986 0.5 ] [ 0.965463 0.29014 0 ] [ 0.495354 0.158936 0.776135 ] [ 0.495354 0.158936 0.223865 ] [ 0.995354 0.841064 0.276135 ] [ 0.534524 0.640566 0 ] [ 0.995354 0.841064 0.723865 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.28440301 "source-unit" "angstrom" } "b" { "source-value" 6.49538191 "source-unit" "angstrom" } "c" { "source-value" 7.66070201 "source-unit" "angstrom" } }