14
Lattice="5.144278 -2.97005 -3.94854 -5.144278 -2.97005 -3.94854 0.0 5.9401 -3.94854" Properties=species:S:1:pos:R:3:forces:R:3 energy=-96.88831770357304 stress="0.0019228109552361882 -2.4643469650961764e-07 1.755468170407972e-07 -2.4643469650961764e-07 0.0019223053092615563 -7.995210600750352e-08 1.755468170407972e-07 -7.995210600750352e-08 0.0021594658408270483" dipole="-2.4190917573776083e-08 1.9059598553435203e-07 -4.7271506427904625e-05" pbc="T T T"
Mo       0.90691000      -4.67210000      -6.74409000      -0.05077344      -0.05967746      -0.04714038
Mo      -3.59270000      -3.12146000      -5.10154000      -0.07707553       0.01418153       0.04720461
Mo       4.49961000      -1.55064000      -5.10154000       0.02632141      -0.07384152       0.04719325
Mo      -4.49961000       1.55064000      -6.74409000      -0.02632819       0.07386570      -0.04713151
Mo       3.59270000       3.12146000      -6.74409000       0.07710078      -0.01418624      -0.04714211
Mo      -0.90691000       4.67210000      -5.10154000       0.05075657       0.05966010       0.04720212
Te       1.93058000      -2.65341000      -4.97152000       0.10810289      -0.07820013       0.00991029
Te      -1.33263000      -2.99864000      -6.87410000      -0.01367167      -0.13268255      -0.00995070
Te      -0.00000000      -0.00000000      -3.42109000       0.00000549       0.00000678       0.19022142
Te      -3.26321000      -0.34523000      -4.97152000      -0.12178112      -0.05450886       0.00991001
Te       3.26321000       0.34523000      -6.87410000       0.12177650       0.05451626      -0.00995078
Te      -0.00000000       0.00000000      -8.42453000      -0.00000603      -0.00000661      -0.19030157
Te       1.33263000       2.99864000      -4.97152000       0.01368238       0.13268244       0.00990992
Te      -1.93058000       2.65341000      -6.87410000      -0.10810890       0.07819228      -0.00995282