180 Lattice="13.282462567090988 0.0 0.0 0.0 13.282462567090988 0.0 0.0 0.0 88.54975044727325" Properties=species:S:1:pos:R:3:forces:R:3 energy=-166.75165039552832 stress="0.0007278331130528604 2.0152600360393433e-13 8.773335211575553e-09 2.0152600360393433e-13 0.0007278331150055833 -7.360828757234342e-08 8.773335211575553e-09 -7.360828757234342e-08 7.719262717289678e-08" free_energy=-166.75165039552832 pbc="T T F" Na -0.00078904 0.01116801 20.23659613 0.00000216 -0.00000256 0.00000073 Na 2.21294859 2.22483714 23.43295124 -0.00000156 0.00000100 -0.00000090 Na -0.00078943 0.01109958 26.07858168 -0.00000105 -0.00000243 0.00000194 Na 2.21296266 2.22484652 28.51381006 -0.00000151 -0.00000087 0.00000191 Na -0.00078226 0.01112119 30.84905793 0.00000181 -0.00000231 0.00000170 Na 2.21295802 2.22484546 33.13021022 0.00000425 -0.00000338 0.00000179 Na -0.00074867 0.01106225 35.38138690 -0.00000026 -0.00000382 0.00000552 Na 2.21299720 2.22476131 37.61727127 -0.00000136 0.00000261 -0.00000031 Na 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