252 Lattice="18.554254162435726 0.0 0.0 0.0 13.119838938117027 0.0 0.0 0.0 86.58651942470006" Properties=species:S:1:pos:R:3:forces:R:3:energies:R:1 energy=-273.84907591255626 stress="-0.0004319032332053314 1.4396545118761911e-11 -1.570373454845125e-07 1.4396545118761911e-11 0.0001822709240703133 -3.9876572832085156e-07 -1.570373454845125e-07 -3.9876572832085156e-07 1.5352420198945724e-09" free_energy=-273.84907591255626 pbc="T T F" Na -0.00074606 0.00864667 21.64509111 -0.00000521 -0.00000076 0.00000253 -0.81054284 Na 3.09162769 2.19529012 21.64510720 -0.00000124 -0.00000134 0.00000083 -0.81054343 Na 3.09159189 0.00864723 24.74342185 0.00000161 -0.00000276 0.00000112 -1.13237479 Na 6.18396897 2.19528727 24.74344294 -0.00000300 -0.00000439 -0.00000113 -1.13237478 Na 6.18391667 0.00863645 27.83598633 -0.00000217 -0.00000194 -0.00000271 -1.13278592 Na 9.27629147 2.19527602 27.83599521 0.00000366 -0.00000149 -0.00000274 -1.13278578 Na 9.27624751 0.00861909 30.92837214 0.00000647 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6.56848975 37.11311521 -0.00000378 -0.00000396 -0.00000275 -1.13280367 Na 12.36855768 4.38181363 40.20548961 -0.00000266 -0.00000284 -0.00000051 -1.13280367 Na 15.46093400 6.56845310 40.20547609 -0.00000244 -0.00000407 0.00000010 -1.13280371 Na 15.46087126 4.38177227 43.29785174 -0.00000383 -0.00000169 -0.00000102 -1.13280361 Na -0.00100810 6.56841205 43.29784314 -0.00000144 -0.00000005 0.00000175 -1.13280372 Na -0.00109967 4.38173174 46.39022060 0.00000154 -0.00000001 -0.00000023 -1.13280371 Na 3.09127714 6.56837253 46.39022675 -0.00000388 -0.00000185 -0.00000150 -1.13280364 Na 3.09117658 4.38168992 49.48260165 0.00000123 -0.00000039 0.00000097 -1.13280364 Na 6.18355204 6.56832839 49.48261682 0.00000544 -0.00000007 0.00000202 -1.13280369 Na 6.18347396 4.38164764 52.57499482 0.00000819 0.00000451 -0.00000287 -1.13280330 Na 9.27585191 6.56828738 52.57500465 0.00000089 0.00000093 -0.00000375 -1.13280351 Na 9.27581483 4.38161440 55.66738799 0.00000181 0.00000285 -0.00000161 -1.13278640 Na 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0.00000259 0.00000337 -1.13280345 Na 6.18355255 10.94160906 49.48261820 0.00000391 0.00000106 -0.00000069 -1.13280373 Na 6.18347687 8.75492840 52.57499469 0.00000469 0.00000218 -0.00000107 -1.13280325 Na 9.27585105 10.94157041 52.57500375 0.00000223 0.00000259 -0.00000069 -1.13280348 Na 9.27581480 8.75489448 55.66738555 0.00000091 0.00000617 -0.00000087 -1.13278648 Na 12.36818847 10.94153623 55.66737287 0.00000512 0.00000305 0.00000044 -1.13278596 Na 12.36818522 8.75487074 58.75991752 0.00000373 0.00000465 -0.00000133 -1.13237474 Na 15.46056269 10.94151043 58.75989939 -0.00000147 0.00000480 0.00000034 -1.13237499 Na 15.46057162 8.75485496 61.85820957 -0.00000215 0.00000662 0.00000233 -0.81054378 Na -0.00131231 10.94149829 61.85820418 0.00000129 0.00000488 0.00000147 -0.81054381