21
Lattice="5.453579748004448 -3.1485578528153075 0.0 5.452996525146638 3.147547646493803 0.0 6.679962012608948e-16 -1.1538262817567293e-19 25.556523130129584" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-135.71297151547276 stress="1.3650120696323973e-05 -7.150420083800915e-06 1.2180535303967243e-05 -7.150420083800915e-06 -8.068518344933678e-06 -5.896748331972085e-06 1.2180535303967243e-05 -5.896748331972085e-06 3.6556567933793446e-05" dipole="0.008871068385928712 0.05697273882958282 4.160928349081026e-06" magmom=0.0 free_energy=-135.78169081839417 pbc="T T F"
Zr      -0.00012907      -0.00009039       9.11290760        0       0.00000000      -0.00026335      -0.00018360      -0.00115231       0.00000000
Se       1.81817815       1.04853345      10.96883844        0       0.00000000      -0.00277504       0.00192402       0.00104748       0.00000000
Se       5.45277468      -1.04966052       7.47847975        0       0.00000000       0.00189027      -0.00118361       0.00159852       0.00000000
Zr      -0.00049959      -0.00010017      16.44265507        1       0.00000000       0.00159172      -0.00040122       0.00218359       0.00000000
Se       1.81806312       1.04827679      18.07677270        1       0.00000000      -0.00170259       0.00219872       0.00045624       0.00000000
Se       5.45319742      -1.04984011      14.58714217        1       0.00000000       0.00115616      -0.00072775      -0.00250161       0.00000000
Zr       3.63544002      -0.00043122       9.11292726        0       0.00000000      -0.00019063       0.00000736      -0.00136589       0.00000000
Se       5.45374070       1.04836198      10.96899526        0       0.00000000      -0.00301888       0.00127495       0.00038593       0.00000000
Se       3.63483475       2.09845654       7.47843193        0       0.00000000       0.00136191      -0.00047682       0.00165378       0.00000000
Zr       3.63569199      -0.00031823      16.44211757        1       0.00000000      -0.00039205      -0.00089196       0.00381583       0.00000000
Se       5.45332745       1.04863124      18.07706199        1       0.00000000      -0.00099104      -0.00001490      -0.00027136       0.00000000
Se       3.63471216       2.09855432      14.58715993        1       0.00000000       0.00277121      -0.00158758      -0.00259970       0.00000000
Zr       7.27100626      -0.00084295       9.11280587        0       0.00000000      -0.00050511       0.00000279      -0.00075440       0.00000000
Se       3.63610118      -2.09939092      10.96875807        0       0.00000000      -0.00220065       0.00067198       0.00131797       0.00000000
Se       1.81725739      -1.04934493       7.47851335        0       0.00000000       0.00186643      -0.00091814       0.00175715       0.00000000
Zr       7.27091143      -0.00098914      16.44321007        1       0.00000000       0.00061135       0.00035583       0.00036901       0.00000000
Se       3.63595209      -2.09887357      18.07697793        1       0.00000000      -0.00118342      -0.00113298       0.00010931       0.00000000
Se       1.81712134      -1.04978626      14.58703444        1       0.00000000       0.00290789      -0.00006492      -0.00196879       0.00000000
Zr       3.63556973      -0.00071680      12.77825031        2       0.00000000      -0.00036946       0.00061533      -0.00205621       0.00000000
Zr       7.27138736      -0.00126890      12.77793386        2       0.00000000      -0.00156262       0.00167644      -0.00087215       0.00000000
Zr      -0.00030989       0.00005319      12.77803038        2       0.00000000       0.00099778      -0.00114399      -0.00109805       0.00000000