108 Lattice="17.639435545390818 0.0 0.0 0.0 17.639435545390818 0.0 0.0 0.0 17.639435545390818" Properties=species:S:1:pos:R:3:forces:R:3 energy=-108.55480374629886 stress="-0.0005758081000938671 7.103699041832686e-06 4.112281673542139e-06 7.103699041832686e-06 -0.0005621020282566212 -4.77824837323026e-05 4.112281673542139e-06 -4.77824837323026e-05 -0.0005589527692004742" pbc="F F F" Ca 0.01162607 0.04628454 0.01833783 -0.08008583 -0.12104017 -0.09761383 Ca 2.89614757 2.95406518 0.00698428 0.25436517 0.13889349 -0.18378875 Ca 2.92610661 0.05062435 2.99125442 0.21993425 -0.23909973 0.08151450 Ca 0.04367948 2.88316801 2.92050705 -0.21504023 0.28596357 0.21669195 Ca 5.90159847 0.05642956 0.04963935 -0.05908645 -0.15503927 -0.13881881 Ca 8.79985339 2.91268836 0.04799010 0.00817409 0.26039113 -0.19388302 Ca 8.83403986 0.03594056 2.92231815 -0.03239060 -0.19178329 0.22322808 Ca 5.89209609 2.92770735 2.92263408 -0.02722361 0.30224157 0.30250114 Ca 11.77884710 0.05353458 0.00949826 -0.12858248 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