{ "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" [ [ 0.506962 0.843067 0.5 ] [ 0.006962 0.156933 0 ] [ 0.005648 0.671609 0.251124 ] [ 0.505648 0.328391 0.751124 ] [ 0.505648 0.328391 0.248876 ] [ 0.005648 0.671609 0.748876 ] [ 0.009168 0.177422 0.5 ] [ 0.509168 0.822578 0 ] [ 0.102007 0.844062 0.5 ] [ 0.602007 0.155938 0 ] [ 0.650878 0.205067 0.5 ] [ 0.150878 0.794933 0 ] [ 0.642345 0.654259 0.230957 ] [ 0.642345 0.654259 0.769043 ] [ 0.142345 0.345741 0.730957 ] [ 0.142345 0.345741 0.269043 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "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" 6.34310423 "source-unit" "angstrom" } "b" { "source-value" 6.60492944 "source-unit" "angstrom" } "c" { "source-value" 7.76274012 "source-unit" "angstrom" } }