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- Force constants for z_trans
- Analytic_derivative == 0.013665928861826174 Hartree/Ang^2
- Numeric_derivative == 0.019693516335370604 Hartree/Ang^2
- Force constants for mof5_ytrans
- Analytic_derivative == 4.756693944367121e-06 Hartree/Ang^2
- Numeric_derivative == 0.0 Hartree/Ang^2
- Force constants for mof5_xtrans
- Analytic_derivative == 4.391729699472497e-06 Hartree/Ang^2
- Numeric_derivative == 111.02230246251563 Hartree/Ang^2
- Force constants for smooth_c3
- Analytic_derivative == 0.0012582758058048025 Hartree/Ang^2
- Numeric_derivative == 0.0013698111106378143 Hartree/Ang^2
- Force constants for y_trans
- Analytic_derivative == 0.009231205575136386 Hartree/Ang^2
- Numeric_derivative == 0.007623296525288702 Hartree/Ang^2
- Force constants for x_stretch
- Analytic_derivative == 4.871889713579602 Hartree/Ang^2
- Numeric_derivative == -0.7589414990558095 Hartree/Ang^2
- Force constants for smooth_x_trans
- Analytic_derivative == 0.04724506874184786 Hartree/Ang^2
- Numeric_derivative == 0.04685151186011992 Hartree/Ang^2
- Force constants for mof5_ztrans
- Analytic_derivative == 1.2544626893579016e-06 Hartree/Ang^2
- Numeric_derivative == 0.0 Hartree/Ang^2
- Force constants for x_trans
- Analytic_derivative == 0.018960310761731762 Hartree/Ang^2
- Numeric_derivative == 0.018634724839594604 Hartree/Ang^2
- relaxed_zphi_b97-d.dat
- relaxed_zphi.dat
- h2_b97d_radians.dat
- y_theta.dat
- z_trans.dat
- h2_mv_svp.dat
- h2_b97d.dat
- mof5_ytrans.dat
- mof5_xtrans.dat
- mode_2.dat
- smooth_c3.dat
- he2.dat
- mode_3.dat
- mode_1.dat
- z_phi.dat
- y_trans.dat
- mode_4.dat
- mode_5.dat
- h2_on_vmfu.dat
- x_stretch.dat
- mode_6.dat
- smooth_x_trans.dat
- mof5_ztrans.dat
- x_trans.dat
- e_phi.dat
- e_theta.dat
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