22
Lattice="40.0 0.0 0.0 0.0 20.0 0.0 0.0 0.0 20.0" Properties=species:S:1:pos:R:3:forces:R:3:magmoms:R:1 energy=-145.53253681 stress="3.773251913376066e-05 -5.710980850183182e-09 -2.8149206157733493e-09 -5.710980850183182e-09 3.845922428279638e-05 -2.9761138304584106e-06 -2.8149206157733493e-09 -2.9761138304584106e-06 4.45699301019285e-05" dipole="_JSON [[0.0, 0.0, 0.0]]" magmom=0.0 free_energy=-145.52867148 pbc="T T T"
C       19.25950624      10.00000434       9.99996172      -0.00029281      -0.00020358       0.00003213       0.00000000
C       18.53695694       8.79590760       9.92510128      -0.00016074       0.00035814       0.00000115       0.00000000
C       17.14211614       8.79551871       9.92531393       0.00047757      -0.00012868       0.00000522       0.00000000
C       16.43781671      10.00000486       9.99996472      -0.00000251      -0.00014349       0.00000420       0.00000000
C       17.14212136      11.20448493      10.07461721       0.00017330       0.00022275       0.00010290       0.00000000
C       18.53695639      11.20409647      10.07482012       0.00012272      -0.00012408       0.00006907       0.00000000
C       23.56136331       9.99998657       9.99999636       0.00040098       0.00008695      -0.00001833       0.00000000
C       22.85706744       9.08520297       9.21287113       0.00037338       0.00011293      -0.00015827       0.00000000
C       21.46223527       9.08528681       9.21336376      -0.00000196      -0.00001783      -0.00037316       0.00000000
C       20.73969230       9.99998732       9.99999078       0.00005133       0.00012813       0.00003170       0.00000000
C       21.46223090      10.91468789      10.78662622       0.00020524      -0.00002587       0.00010988       0.00000000
C       22.85706799      10.91477806      10.78711516       0.00002047      -0.00036323      -0.00015006       0.00000000
H       19.07814036       7.84886713       9.89282863       0.00005341      -0.00021383      -0.00018781       0.00000000
H       16.60198813       7.84866429       9.87634059      -0.00012697      -0.00002801      -0.00015652       0.00000000
H       15.34701274      10.00000202       9.99997301       0.00002377       0.00002517       0.00001808       0.00000000
H       16.60198612      12.15133250      10.12366691      -0.00006715       0.00003615      -0.00000334       0.00000000
H       19.07813689      12.15114169      10.10711434       0.00002425       0.00011698       0.00018831       0.00000000
H       24.65218434      10.00000274       9.99997738      -0.00053404      -0.00001577       0.00001896       0.00000000
H       23.39720992       8.37293696       8.58706291      -0.00025086       0.00009583       0.00028163       0.00000000
H       20.92110466       8.38441729       8.57556050      -0.00017542      -0.00013314       0.00003775       0.00000000
H       20.92110119      11.61559625      11.42438075      -0.00024855       0.00015873       0.00008996       0.00000000
H       23.39720465      11.62709258      11.41285260      -0.00006540       0.00005574       0.00005654       0.00000000
