# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Al2MoTi # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.651020386e+02 1.651020386e+02 1.30 1.533145352e+02 1.533145352e+02 1.32 1.423839253e+02 1.423839253e+02 1.34 1.322403008e+02 1.322403008e+02 1.36 1.228194145e+02 1.228194145e+02 1.38 1.140635643e+02 1.140635643e+02 1.40 1.059212854e+02 1.059212854e+02 1.42 9.834586628e+01 9.834586628e+01 1.44 9.129369284e+01 9.129369284e+01 1.46 8.472340297e+01 8.472340297e+01 1.48 7.859632733e+01 7.859632733e+01 1.50 7.287778922e+01 7.287778922e+01 1.52 6.753801742e+01 6.753801742e+01 1.54 6.255180887e+01 6.255180887e+01 1.56 5.789727520e+01 5.789727520e+01 1.58 5.355448956e+01 5.355448956e+01 1.60 4.950448422e+01 4.950448422e+01 1.62 4.572864971e+01 4.572864971e+01 1.64 4.220844800e+01 4.220844800e+01 1.66 3.892539427e+01 3.892539427e+01 1.68 3.586135645e+01 3.586135645e+01 1.70 3.299914610e+01 3.299914610e+01 1.72 3.032439184e+01 3.032439184e+01 1.74 2.782481105e+01 2.782481105e+01 1.76 2.548809903e+01 2.548809903e+01 1.78 2.330340227e+01 2.330340227e+01 1.80 2.126345086e+01 2.126345086e+01 1.82 1.936146344e+01 1.936146344e+01 1.84 1.758920654e+01 1.758920654e+01 1.86 1.593911618e+01 1.593911618e+01 1.88 1.440413454e+01 1.440413454e+01 1.90 1.297753174e+01 1.297753174e+01 1.92 1.165273961e+01 1.165273961e+01 1.94 1.042323064e+01 1.042323064e+01 1.96 9.282477261e+00 9.282477261e+00 1.98 8.224010112e+00 8.224010112e+00 2.00 7.241556311e+00 7.241556311e+00 2.02 6.329201370e+00 6.329201370e+00 2.04 5.481505283e+00 5.481505283e+00 2.06 4.693530089e+00 4.693530089e+00 2.08 3.960788777e+00 3.960788777e+00 2.10 3.279163519e+00 3.279163519e+00 2.12 2.644839095e+00 2.644839095e+00 2.14 2.054271909e+00 2.054271909e+00 2.16 1.504190884e+00 1.504190884e+00 2.18 9.916135545e-01 9.916135545e-01 2.20 5.138587393e-01 5.138587393e-01 2.22 6.854239744e-02 6.854239744e-02 2.24 -3.464447965e-01 -3.464447965e-01 2.26 -7.329699536e-01 -7.329699536e-01 2.28 -1.092689901e+00 -1.092689901e+00 2.30 -1.427076507e+00 -1.427076507e+00 2.32 -1.737438123e+00 -1.737438123e+00 2.34 -2.024939911e+00 -2.024939911e+00 2.36 -2.290626510e+00 -2.290626510e+00 2.38 -2.535446881e+00 -2.535446881e+00 2.40 -2.760281112e+00 -2.760281112e+00 2.42 -2.965967825e+00 -2.965967825e+00 2.44 -3.153329819e+00 -3.153329819e+00 2.46 -3.323196032e+00 -3.323196032e+00 2.48 -3.476418235e+00 -3.476418235e+00 2.50 -3.613838552e+00 -3.613838552e+00 2.52 -3.736302775e+00 -3.736302775e+00 2.54 -3.844888377e+00 -3.844888377e+00 2.56 -3.940721939e+00 -3.940721939e+00 2.58 -4.024961413e+00 -4.024961413e+00 2.60 -4.098776226e+00 -4.098776226e+00 2.62 -4.163320039e+00 -4.163320039e+00 2.64 -4.219706331e+00 -4.219706331e+00 2.66 -4.268809418e+00 -4.268809418e+00 2.68 -4.311239867e+00 -4.311239867e+00 2.70 -4.347351678e+00 -4.347351678e+00 2.72 -4.377399706e+00 -4.377399706e+00 2.74 -4.401569846e+00 -4.401569846e+00 2.76 -4.420004265e+00 -4.420004265e+00 2.78 -4.432805986e+00 -4.432805986e+00 2.80 -4.439976569e+00 -4.439976569e+00 2.82 -4.441516035e+00 -4.441516035e+00 2.84 -4.437466305e+00 -4.437466305e+00 2.86 -4.427911133e+00 -4.427911133e+00 2.88 -4.413032121e+00 -4.413032121e+00 2.90 -4.394095044e+00 -4.394095044e+00 2.92 -4.371376735e+00 -4.371376735e+00 2.94 -4.344706042e+00 -4.344706042e+00 2.96 -4.314014049e+00 -4.314014049e+00 2.98 -4.279325978e+00 -4.279325978e+00 3.00 -4.240753664e+00 -4.240753664e+00 3.02 -4.198486788e+00 -4.198486788e+00 3.04 -4.152780661e+00 -4.152780661e+00 3.06 -4.103947171e+00 -4.103947171e+00 3.08 -4.052352476e+00 -4.052352476e+00 3.10 -3.998365162e+00 -3.998365162e+00 3.12 -3.942322883e+00 -3.942322883e+00 3.14 -3.884514045e+00 -3.884514045e+00 3.16 -3.825166927e+00 -3.825166927e+00 3.18 -3.764447992e+00 -3.764447992e+00 3.20 -3.702467536e+00 -3.702467536e+00 3.22 -3.639290633e+00 -3.639290633e+00 3.24 -3.574950798e+00 -3.574950798e+00 3.26 -3.509464255e+00 -3.509464255e+00 3.28 -3.442843443e+00 -3.442843443e+00 3.30 -3.375108962e+00 -3.375108962e+00 3.32 -3.306299658e+00 -3.306299658e+00 3.34 -3.236480655e+00 -3.236480655e+00 3.36 -3.165749221e+00 -3.165749221e+00 3.38 -3.094238268e+00 -3.094238268e+00 3.40 -3.022117295e+00 -3.022117295e+00 3.42 -2.949590716e+00 -2.949590716e+00 3.44 -2.876893357e+00 -2.876893357e+00 3.46 -2.804283695e+00 -2.804283695e+00 3.48 -2.732035045e+00 -2.732035045e+00 3.50 -2.660425434e+00 -2.660425434e+00 3.52 -2.589726889e+00 -2.589726889e+00 3.54 -2.520194905e+00 -2.520194905e+00 3.56 -2.452058830e+00 -2.452058830e+00 3.58 -2.385513888e+00 -2.385513888e+00 3.60 -2.320715450e+00 -2.320715450e+00 3.62 -2.257776018e+00 -2.257776018e+00 3.64 -2.196765097e+00 -2.196765097e+00 3.66 -2.137711762e+00 -2.137711762e+00 3.68 -2.080609359e+00 -2.080609359e+00 3.70 -2.025421568e+00 -2.025421568e+00 3.72 -1.972088988e+00 -1.972088988e+00 3.74 -1.920535511e+00 -1.920535511e+00 3.76 -1.870673999e+00 -1.870673999e+00 3.78 -1.822411005e+00 -1.822411005e+00 3.80 -1.775650466e+00 -1.775650466e+00 3.82 -1.730296452e+00 -1.730296452e+00 3.84 -1.686255109e+00 -1.686255109e+00 3.86 -1.643435970e+00 -1.643435970e+00 3.88 -1.601752766e+00 -1.601752766e+00 3.90 -1.561123883e+00 -1.561123883e+00 3.92 -1.521472527e+00 -1.521472527e+00 3.94 -1.482726859e+00 -1.482726859e+00 3.96 -1.444819668e+00 -1.444819668e+00 3.98 -1.407688316e+00 -1.407688316e+00 4.00 -1.371274475e+00 -1.371274475e+00 4.02 -1.335523924e+00 -1.335523924e+00 4.04 -1.300386426e+00 -1.300386426e+00 4.06 -1.265815741e+00 -1.265815741e+00 4.08 -1.231769831e+00 -1.231769831e+00 4.10 -1.198211212e+00 -1.198211212e+00 4.12 -1.165107997e+00 -1.165107997e+00 4.14 -1.132434271e+00 -1.132434271e+00 4.16 -1.100171610e+00 -1.100171610e+00 4.18 -1.068310191e+00 -1.068310191e+00 4.20 -1.036849954e+00 -1.036849954e+00 4.22 -1.005801505e+00 -1.005801505e+00 4.24 -9.751865443e-01 -9.751865443e-01 4.26 -9.450376057e-01 -9.450376057e-01 4.28 -9.153969341e-01 -9.153969341e-01 4.30 -8.863144370e-01 -8.863144370e-01 4.32 -8.578447626e-01 -8.578447626e-01 4.34 -8.300437098e-01 -8.300437098e-01 4.36 -8.029643021e-01 -8.029643021e-01 4.38 -7.766529344e-01 -7.766529344e-01 4.40 -7.511460058e-01 -7.511460058e-01 4.42 -7.264673816e-01 -7.264673816e-01 4.44 -7.026268936e-01 -7.026268936e-01 4.46 -6.796199319e-01 -6.796199319e-01 4.48 -6.574280311e-01 -6.574280311e-01 4.50 -6.360202460e-01 -6.360202460e-01 4.52 -6.153550533e-01 -6.153550533e-01 4.54 -5.953825167e-01 -5.953825167e-01 4.56 -5.760464866e-01 -5.760464866e-01 4.58 -5.572866693e-01 -5.572866693e-01 4.60 -5.390404674e-01 -5.390404674e-01 4.62 -5.212445539e-01 -5.212445539e-01 4.64 -5.038361927e-01 -5.038361927e-01 4.66 -4.867543500e-01 -4.867543500e-01 4.68 -4.699406590e-01 -4.699406590e-01 4.70 -4.533403079e-01 -4.533403079e-01 4.72 -4.369029134e-01 -4.369029134e-01 4.74 -4.205834326e-01 -4.205834326e-01 4.76 -4.043431450e-01 -4.043431450e-01 4.78 -3.881507130e-01 -3.881507130e-01 4.80 -3.719832521e-01 -3.719832521e-01 4.82 -3.558276715e-01 -3.558276715e-01 4.84 -3.396814026e-01 -3.396814026e-01 4.86 -3.235535070e-01 -3.235535070e-01 4.88 -3.074651848e-01 -3.074651848e-01 4.90 -2.914498964e-01 -2.914498964e-01 4.92 -2.755529127e-01 -2.755529127e-01 4.94 -2.598302023e-01 -2.598302023e-01 4.96 -2.443466152e-01 -2.443466152e-01 4.98 -2.291734021e-01 -2.291734021e-01 5.00 -2.143851842e-01 -2.143851842e-01 5.02 -2.000565709e-01 -2.000565709e-01 5.04 -1.862586790e-01 -1.862586790e-01 5.06 -1.730558352e-01 -1.730558352e-01 5.08 -1.605027342e-01 -1.605027342e-01 5.10 -1.486422706e-01 -1.486422706e-01 5.12 -1.375041877e-01 -1.375041877e-01 5.14 -1.271045894e-01 -1.271045894e-01 5.16 -1.174462671e-01 -1.174462671e-01 5.18 -1.085197201e-01 -1.085197201e-01 5.20 -1.003046954e-01 -1.003046954e-01 5.22 -9.277205323e-02 -9.277205323e-02 5.24 -8.588577148e-02 -8.588577148e-02 5.26 -7.960493594e-02 -7.960493594e-02 5.28 -7.388557429e-02 -7.388557429e-02 5.30 -6.868226851e-02 -6.868226851e-02 5.32 -6.394949583e-02 -6.394949583e-02 5.34 -5.964270971e-02 -5.964270971e-02 5.36 -5.571913958e-02 -5.571913958e-02 5.38 -5.213813121e-02 -5.213813121e-02 5.40 -4.886176342e-02 -4.886176342e-02 5.42 -4.585545986e-02 -4.585545986e-02 5.44 -4.308756019e-02 -4.308756019e-02 5.46 -4.052921859e-02 -4.052921859e-02 5.48 -3.815437203e-02 -3.815437203e-02 5.50 -3.593964942e-02 -3.593964942e-02 5.52 -3.386424830e-02 -3.386424830e-02 5.54 -3.190979886e-02 -3.190979886e-02 5.56 -3.006022542e-02 -3.006022542e-02 5.58 -2.830161887e-02 -2.830161887e-02 5.60 -2.662212084e-02 -2.662212084e-02 5.62 -2.501181957e-02 -2.501181957e-02 5.64 -2.346265486e-02 -2.346265486e-02 5.66 -2.196832669e-02 -2.196832669e-02 5.68 -2.052419996e-02 -2.052419996e-02 5.70 -1.912719709e-02 -1.912719709e-02 5.72 -1.777567035e-02 -1.777567035e-02 5.74 -1.646924711e-02 -1.646924711e-02 5.76 -1.520864112e-02 -1.520864112e-02 5.78 -1.399527220e-02 -1.399527220e-02 5.80 -1.283132582e-02 -1.283132582e-02 5.82 -1.171947269e-02 -1.171947269e-02 5.84 -1.066247743e-02 -1.066247743e-02 5.86 -9.662944099e-03 -9.662944099e-03 5.88 -8.723089894e-03 -8.723089894e-03 5.90 -7.844561390e-03 -7.844561390e-03 5.92 -7.028303340e-03 -7.028303340e-03 5.94 -6.274485016e-03 -6.274485016e-03 5.96 -5.582483327e-03 -5.582483327e-03 5.98 -4.950916899e-03 -4.950916899e-03 6.00 -4.377721456e-03 -4.377721456e-03