4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4.993863930853394 stress="-3.248985281975488 0.4162490622617373 -0.2462237660732853 0.4162490622617373 -2.436947460219235 -0.1784174556118435 -0.2462237660732853 -0.1784174556118435 -3.3460875495561564" free_energy=-4.993863930853394 pbc="T F T"
Mo      -0.14597521       0.20996341      -0.00792870      -2.60151917     -17.96323757       9.27310066
Mo       1.43391457       1.53848316      -0.04225341       9.34646369      23.51782105      13.85238605
Mo       1.41852158       0.19178619       1.67895518       9.96775959     -29.76987309     -13.28111283
Mo       0.29140871       1.61455359       1.53253581     -16.71270411      24.21528962      -9.84437387