16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-75.89428250481167 stress="-0.0013674788522928835 0.0017002709354237376 0.001557942088809883 0.0017002709354237376 -0.000933132178382634 -0.001061487613362708 0.001557942088809883 -0.001061487613362708 -0.0012996646681355728" free_energy=-75.89428250481167 pbc="F F F" Nb 20.85540510 20.88037660 21.13075951 -1.56128259 -0.53404538 -1.43015718 Nb 22.89705514 22.33159203 22.21804294 -15.01346317 11.66936737 8.38619052 Nb 24.06541123 20.97125858 21.27009634 10.78854383 -14.09399317 -12.09191033 Nb 25.49793309 22.81856540 22.51378257 3.97246442 8.33389125 2.38983669 Nb 20.95007342 24.15884543 21.33220590 -0.30767439 -1.82486671 0.40993191 Nb 22.56504129 25.20865944 22.36550211 -87.66007025 75.23796145 84.07486582 Nb 23.78802619 24.22277084 21.18584377 94.54597327 -64.15697930 -84.94218580 Nb 25.68362810 25.69581920 22.52110868 -10.97622042 -12.62012333 6.20819607 Nb 21.42679811 20.94191079 23.73910079 1.04113903 1.03362852 0.53751345 Nb 23.00764795 22.47480820 25.51365898 -1.84109409 -0.71853013 4.04178194 Nb 24.20937927 20.92785783 23.62072476 -0.03290794 -5.43674993 2.59926792 Nb 25.17545222 22.24367113 25.16958751 5.30013964 2.36641501 2.43826778 Nb 21.45413957 24.02733615 24.50146226 -4.73221014 0.32799455 -0.61727184 Nb 22.82667090 25.48222272 25.63947543 8.48889253 0.19565483 -0.83009498 Nb 23.78091226 23.96296492 23.94268410 10.96186418 8.64370923 1.86714063 Nb 25.54720925 25.34358891 25.51361598 -12.97409390 -8.42333426 -13.04137262