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A rapidly emerging trend in the IT landscape is the uptake of large-scale datacenters moving storage and data processing to providers located far away from the end-users or locally deployed servers. For these large-scale datacenters, power efficiency is a key metric, with the PUE (Power Usage Effectiveness) and DCiE (Data Centre infrastructure Efficiency) being important examples. This article proposes a belief rule based expert system to predict datacenter PUE under uncertainty. The system has been evaluated using real-world data from a data center in the UK. The results would help planning construction of new datacenters and the redesign of existing datacenters making them more power efficient leading to a more sustainable computing environment. In addition, an optimal learning model for the BRBES demonstrated which has been compared with ANN and Genetic Algorithm; and the results are promising.