# thermodynamics                 value                  err  
# E        [eV]:          -35.46078969           0.03078581
# H        [eV]:          -32.69470982           0.17676632
# T         [K]:          401.39377443           7.26537442
# P       [bar]:       199249.26671429        1042.33314701
# V       [A^3]:           22.24535633           0.21775359
# PV       [eV]:            2.76646834           0.17366679
# Lxx       [A]:           16.46425559           0.00441481
# Lyy       [A]:           16.46425559           0.00441481
# Lzz       [A]:           11.81720243           0.00405239
# Lxy       [A]:            0.00000000           0.00000000
# Lxz       [A]:            0.00000000           0.00000000
# Lyz       [A]:            0.00000000           0.00000000
# Pxx     [bar]:       198932.28200000        1680.03593971
# Pyy     [bar]:       199555.42000000        2420.23706768
# Pzz     [bar]:       199260.09742857        1103.22832771
# Pxy     [bar]:          -75.55911846          62.00612279
# Pxz     [bar]:          119.91939743          72.60777342
# Pyz     [bar]:         -331.93186767          82.19572277
