20
Lattice="9.517989855326045 1.6791494295777547 0.0 -2.703989983433729 10.625865298685328 0.0 1.5677002527757867e-15 -6.14372732568915e-16 33.436422612013054" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-94.18432891685357 stress="8.046009609126412e-06 -1.5480639489058178e-06 5.680342385534517e-07 -1.5480639489058178e-06 5.11040544913873e-06 -3.3625208285079468e-06 5.680342385534517e-07 -3.3625208285079468e-06 3.250726143926346e-05" dipole="-50.54839490106817 -51.85945975661607 -8.67735826543767e-06" magmom=0.0 free_energy=-94.1843289266231 pbc="T T F"
P       -1.90532391       0.00694395      16.78458135       0.00000000      -0.00172632       0.00720500      -0.00160986       0.00000000
P        5.06073318       1.57883687      17.41981870       0.00000000      -0.00051501      -0.00135918      -0.00077719       0.00000000
P        4.14910841       9.34298586      18.10373891       0.00000000      -0.00224153       0.00220674      -0.00180477       0.00000000
P       -1.21242380       6.92221821      17.70553268       0.00000000      -0.00012612      -0.00225978       0.00038222       0.00000000
S        2.14886039      10.14906906      18.01133082       0.00000000      -0.00076154       0.00414699       0.00053623       0.00000000
S        5.44957602      10.99802904      18.42983975       0.00000000       0.00061196      -0.00022183       0.00213936       0.00000000
S        4.30662000       8.83322209      15.99543687       0.00000000       0.00041163       0.00403490       0.00082215       0.00000000
S       -1.76137694       7.52660166      15.70405636       0.00000000       0.00016236      -0.00085362       0.00524335       0.00000000
S        7.53923925       3.63612772      17.58876694       0.00000000       0.00797849      -0.00469619       0.00201422       0.00000000
S        4.57989738       1.86644232      15.35947438       0.00000000       0.00293827      -0.00527855       0.00235255       0.00000000
P        9.52951836       4.02809461      16.65180525       0.00000000       0.00132553      -0.00742010       0.00156998       0.00000000
P        2.56345270       2.45615078      16.01656845       0.00000000       0.00039073       0.00180471       0.00082934       0.00000000
P        0.77111288       5.31790099      15.33263911       0.00000000       0.00212792      -0.00216565       0.00203597       0.00000000
P        6.13268656       7.73868027      15.73083207       0.00000000      -0.00024374       0.00235030      -0.00044456       0.00000000
S        2.77133141       4.51182300      15.42507386       0.00000000       0.00082370      -0.00446583      -0.00060661       0.00000000
S        8.98859923       5.34202215      15.00655094       0.00000000      -0.00048264       0.00023226      -0.00206932       0.00000000
S        0.61360755       5.82766755      17.44097367       0.00000000      -0.00039128      -0.00409507      -0.00117650       0.00000000
S        6.68160872       7.13429567      17.73228363       0.00000000       0.00006829       0.00085504      -0.00500804       0.00000000
S        0.08489565       0.39889489      15.84760605       0.00000000      -0.00766453       0.00492139      -0.00204510       0.00000000
S        3.04426024       2.16860299      18.07691141       0.00000000      -0.00270601       0.00505099      -0.00238500       0.00000000