11
Lattice="6.833119008959673 6.841552920494941e-20 0.0 -3.4165595044798365 5.917654646113992 0.0 -5.972580936756422e-19 -2.991242562318646e-39 18.57162902" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-40.19996693307052 stress="-1.8830432437956867e-05 -2.638420833675976e-07 -2.1493132118004274e-07 -2.638420833675976e-07 -1.9937183111802907e-05 -9.978645028330655e-08 -2.1493132118004274e-07 -9.978645028330655e-08 0.0005869110162270025" dipole="2.7349518046449217e-06 1.533570605575927e-06 -0.00840217430333796" magmom=0.0 free_energy=-40.25082900542596 pbc="T T F"
Cu       3.76917672       0.00000000       8.41059138       0.00000000      -0.00858730      -0.00000389       0.00350245       0.00000000
Cu      -1.88456803       3.26416758       8.41059936       0.00000000       0.00425060      -0.00738914       0.00348491       0.00000000
Cu       1.53200992       2.65351831       8.41060809       0.00000000       0.00422469       0.00734081       0.00344814       0.00000000
Cu      -0.00000003       3.94510312       9.93548295       0.00000000      -0.00002928      -0.00004173      -0.00173971       0.00000000
Cu       3.41655954       1.97255153       9.93548295       0.00000000      -0.00005661       0.00000032      -0.00173216       0.00000000
Cu       0.00000000       0.00000000      10.53521188       0.00000000      -0.00028957      -0.00016866      -0.00091193       0.00000000
Se       4.51771822      -0.00000000      10.72997524       0.00000000      -0.00384027      -0.00001446       0.00022448       0.00000000
Se      -2.25887653       3.91248892      10.72995945       0.00000000       0.00203981      -0.00359954       0.00022918       0.00000000
Se       1.15766261       2.00513637      10.72994422       0.00000000       0.00222598       0.00384325       0.00022392       0.00000000
Se      -0.00000003       3.94510312       7.15809803       0.00000000       0.00002740       0.00002348      -0.00311496       0.00000000
Se       3.41655954       1.97255153       7.15809803       0.00000000       0.00003307       0.00000702      -0.00311552       0.00000000