256 Lattice="29.63210197754852 0.0 0.0 0.0 29.63210197754852 0.0 0.0 0.0 29.63210197754852" Properties=species:S:1:pos:R:3:forces:R:3 energy=-132.0978010312221 stress="-6.372271540516996e-05 -1.6146424931463292e-06 -7.6012428819820375e-06 -1.6146424931463292e-06 -6.324260755181679e-05 2.30537953495396e-06 -7.6012428819820375e-06 2.30537953495396e-06 -6.108785047288544e-05" free_energy=-132.0978010312221 pbc="F F F" K 0.02166927 0.04399552 0.04143842 -0.05175597 -0.06048257 -0.05700785 K 3.72972893 3.64523378 0.02974341 0.05997826 0.06707909 -0.11679223 K 3.72229234 0.03580648 3.71154927 0.06637468 -0.11740236 0.06040084 K 0.01491161 3.67270994 3.63045680 -0.10508559 0.08578647 0.08643620 K 7.47563310 0.03942447 0.05050166 0.01191573 -0.07328050 -0.06076208 K 11.06810710 3.72860369 0.03248779 0.02367931 0.05794623 -0.07671231 K 11.17134195 0.01813206 3.77380891 -0.01948758 -0.06918988 0.06847101 K 7.34302913 3.72771176 3.76455522 0.05649227 0.06668736 0.08548058 K 14.87024713 0.04242350 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