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=32.67097893235214 stress="-5.8089649481630365 0.21862771726263636 -0.016179251606840504 0.21862771726263636 -4.328246976727345 0.7385753178127386 -0.016179251606840504 0.7385753178127386 -5.920263822961676" free_energy=32.67097893235214 pbc="T F T"
Ti       0.05791531       0.08501927       0.06603388     -10.91146833     -39.69072376       4.92855640 
Ti       1.50693356       1.66501753       0.22580078       4.85189318      36.73559693      -5.58030933 
Ti       1.42866320       0.18883157       1.49955875      17.33238166     -43.50312782       9.53813843 
Ti       0.04313966       1.44832183       1.75980354     -11.27280651      46.45825465      -8.88638550