# 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 = MoTi2W # 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 3.323082362e+02 3.323082362e+02 1.30 3.073295365e+02 3.073295365e+02 1.32 2.842637373e+02 2.842637373e+02 1.34 2.629450399e+02 2.629450399e+02 1.36 2.432202850e+02 2.432202850e+02 1.38 2.249502753e+02 2.249502753e+02 1.40 2.080104738e+02 2.080104738e+02 1.42 1.922907052e+02 1.922907052e+02 1.44 1.776942114e+02 1.776942114e+02 1.46 1.641361454e+02 1.641361454e+02 1.48 1.515414384e+02 1.515414384e+02 1.50 1.398425769e+02 1.398425769e+02 1.52 1.289779779e+02 1.289779779e+02 1.54 1.188911276e+02 1.188911276e+02 1.56 1.095301761e+02 1.095301761e+02 1.58 1.008475041e+02 1.008475041e+02 1.60 9.279898692e+01 9.279898692e+01 1.62 8.534309386e+01 8.534309386e+01 1.64 7.844009757e+01 7.844009757e+01 1.66 7.205150257e+01 7.205150257e+01 1.68 6.613974746e+01 6.613974746e+01 1.70 6.066828687e+01 6.066828687e+01 1.72 5.560206046e+01 5.560206046e+01 1.74 5.090812224e+01 5.090812224e+01 1.76 4.655609359e+01 4.655609359e+01 1.78 4.251829206e+01 4.251829206e+01 1.80 3.876965710e+01 3.876965710e+01 1.82 3.528765321e+01 3.528765321e+01 1.84 3.205219054e+01 3.205219054e+01 1.86 2.904549316e+01 2.904549316e+01 1.88 2.625208916e+01 2.625208916e+01 1.90 2.365856900e+01 2.365856900e+01 1.92 2.125435671e+01 2.125435671e+01 1.94 1.902807331e+01 1.902807331e+01 1.96 1.696832410e+01 1.696832410e+01 1.98 1.506426502e+01 1.506426502e+01 2.00 1.330553951e+01 1.330553951e+01 2.02 1.168220472e+01 1.168220472e+01 2.04 1.018464381e+01 1.018464381e+01 2.06 8.803509015e+00 8.803509015e+00 2.08 7.529734023e+00 7.529734023e+00 2.10 6.354616031e+00 6.354616031e+00 2.12 5.269934319e+00 5.269934319e+00 2.14 4.268065831e+00 4.268065831e+00 2.16 3.342071149e+00 3.342071149e+00 2.18 2.485735015e+00 2.485735015e+00 2.20 1.693553969e+00 1.693553969e+00 2.22 9.606728543e-01 9.606728543e-01 2.24 2.827873344e-01 2.827873344e-01 2.26 -3.439617831e-01 -3.439617831e-01 2.28 -9.230789489e-01 -9.230789489e-01 2.30 -1.457776223e+00 -1.457776223e+00 2.32 -1.951010182e+00 -1.951010182e+00 2.34 -2.405499337e+00 -2.405499337e+00 2.36 -2.823736244e+00 -2.823736244e+00 2.38 -3.208003377e+00 -3.208003377e+00 2.40 -3.560398271e+00 -3.560398271e+00 2.42 -3.882864301e+00 -3.882864301e+00 2.44 -4.177218786e+00 -4.177218786e+00 2.46 -4.445172758e+00 -4.445172758e+00 2.48 -4.688340438e+00 -4.688340438e+00 2.50 -4.908240320e+00 -4.908240320e+00 2.52 -5.106290965e+00 -5.106290965e+00 2.54 -5.283765872e+00 -5.283765872e+00 2.56 -5.441831662e+00 -5.441831662e+00 2.58 -5.581650656e+00 -5.581650656e+00 2.60 -5.704274170e+00 -5.704274170e+00 2.62 -5.810654822e+00 -5.810654822e+00 2.64 -5.901666247e+00 -5.901666247e+00 2.66 -5.978123344e+00 -5.978123344e+00 2.68 -6.040801885e+00 -6.040801885e+00 2.70 -6.090431195e+00 -6.090431195e+00 2.72 -6.127451051e+00 -6.127451051e+00 2.74 -6.152380814e+00 -6.152380814e+00 2.76 -6.165818140e+00 -6.165818140e+00 2.78 -6.168377590e+00 -6.168377590e+00 2.80 -6.160685863e+00 -6.160685863e+00 2.82 -6.143378323e+00 -6.143378323e+00 2.84 -6.117126325e+00 -6.117126325e+00 2.86 -6.082614653e+00 -6.082614653e+00 2.88 -6.040106742e+00 -6.040106742e+00 2.90 -5.989836026e+00 -5.989836026e+00 2.92 -5.932132216e+00 -5.932132216e+00 2.94 -5.867422300e+00 -5.867422300e+00 2.96 -5.796230038e+00 -5.796230038e+00 2.98 -5.719171799e+00 -5.719171799e+00 3.00 -5.636942088e+00 -5.636942088e+00 3.02 -5.550175576e+00 -5.550175576e+00 3.04 -5.459412263e+00 -5.459412263e+00 3.06 -5.365213184e+00 -5.365213184e+00 3.08 -5.268118077e+00 -5.268118077e+00 3.10 -5.168599064e+00 -5.168599064e+00 3.12 -5.067027384e+00 -5.067027384e+00 3.14 -4.963658458e+00 -4.963658458e+00 3.16 -4.858633246e+00 -4.858633246e+00 3.18 -4.751994071e+00 -4.751994071e+00 3.20 -4.643707645e+00 -4.643707645e+00 3.22 -4.533691157e+00 -4.533691157e+00 3.24 -4.421838026e+00 -4.421838026e+00 3.26 -4.308041779e+00 -4.308041779e+00 3.28 -4.192217648e+00 -4.192217648e+00 3.30 -4.074322039e+00 -4.074322039e+00 3.32 -3.954370004e+00 -3.954370004e+00 3.34 -3.832450536e+00 -3.832450536e+00 3.36 -3.708739094e+00 -3.708739094e+00 3.38 -3.583506361e+00 -3.583506361e+00 3.40 -3.457122050e+00 -3.457122050e+00 3.42 -3.330052812e+00 -3.330052812e+00 3.44 -3.202853162e+00 -3.202853162e+00 3.46 -3.076149844e+00 -3.076149844e+00 3.48 -2.950619865e+00 -2.950619865e+00 3.50 -2.826963687e+00 -2.826963687e+00 3.52 -2.705875448e+00 -2.705875448e+00 3.54 -2.588012448e+00 -2.588012448e+00 3.56 -2.473966289e+00 -2.473966289e+00 3.58 -2.364238101e+00 -2.364238101e+00 3.60 -2.259220000e+00 -2.259220000e+00 3.62 -2.159184468e+00 -2.159184468e+00 3.64 -2.064282398e+00 -2.064282398e+00 3.66 -1.974549474e+00 -1.974549474e+00 3.68 -1.889919384e+00 -1.889919384e+00 3.70 -1.810241638e+00 -1.810241638e+00 3.72 -1.735301469e+00 -1.735301469e+00 3.74 -1.664839572e+00 -1.664839572e+00 3.76 -1.598569996e+00 -1.598569996e+00 3.78 -1.536195223e+00 -1.536195223e+00 3.80 -1.477418033e+00 -1.477418033e+00 3.82 -1.421950265e+00 -1.421950265e+00 3.84 -1.369518787e+00 -1.369518787e+00 3.86 -1.319869181e+00 -1.319869181e+00 3.88 -1.272767617e+00 -1.272767617e+00 3.90 -1.228001389e+00 -1.228001389e+00 3.92 -1.185378452e+00 -1.185378452e+00 3.94 -1.144726609e+00 -1.144726609e+00 3.96 -1.105891759e+00 -1.105891759e+00 3.98 -1.068736543e+00 -1.068736543e+00 4.00 -1.033138629e+00 -1.033138629e+00 4.02 -9.989890878e-01 -9.989890878e-01 4.04 -9.661908557e-01 -9.661908557e-01 4.06 -9.346573177e-01 -9.346573177e-01 4.08 -9.043110204e-01 -9.043110204e-01 4.10 -8.750823574e-01 -8.750823574e-01 4.12 -8.469092343e-01 -8.469092343e-01 4.14 -8.197350926e-01 -8.197350926e-01 4.16 -7.935088852e-01 -7.935088852e-01 4.18 -7.681841911e-01 -7.681841911e-01 4.20 -7.437186220e-01 -7.437186220e-01 4.22 -7.200733076e-01 -7.200733076e-01 4.24 -6.972124498e-01 -6.972124498e-01 4.26 -6.751029369e-01 -6.751029369e-01 4.28 -6.537140099e-01 -6.537140099e-01 4.30 -6.330169729e-01 -6.330169729e-01 4.32 -6.129849420e-01 -6.129849420e-01 4.34 -5.935926276e-01 -5.935926276e-01 4.36 -5.748161440e-01 -5.748161440e-01 4.38 -5.566328437e-01 -5.566328437e-01 4.40 -5.390211721e-01 -5.390211721e-01 4.42 -5.219605389e-01 -5.219605389e-01 4.44 -5.054312058e-01 -5.054312058e-01 4.46 -4.894141856e-01 -4.894141856e-01 4.48 -4.738911530e-01 -4.738911530e-01 4.50 -4.588443650e-01 -4.588443650e-01 4.52 -4.442565892e-01 -4.442565892e-01 4.54 -4.301110405e-01 -4.301110405e-01 4.56 -4.163913251e-01 -4.163913251e-01 4.58 -4.030813912e-01 -4.030813912e-01 4.60 -3.901654892e-01 -3.901654892e-01 4.62 -3.776281396e-01 -3.776281396e-01 4.64 -3.654541121e-01 -3.654541121e-01 4.66 -3.536284176e-01 -3.536284176e-01 4.68 -3.421363155e-01 -3.421363155e-01 4.70 -3.309633396e-01 -3.309633396e-01 4.72 -3.200953471e-01 -3.200953471e-01 4.74 -3.095185936e-01 -3.095185936e-01 4.76 -2.992198389e-01 -2.992198389e-01 4.78 -2.891864849e-01 -2.891864849e-01 4.80 -2.794066655e-01 -2.794066655e-01 4.82 -2.698697981e-01 -2.698697981e-01 4.84 -2.605662710e-01 -2.605662710e-01 4.86 -2.514880690e-01 -2.514880690e-01 4.88 -2.426289151e-01 -2.426289151e-01 4.90 -2.339844830e-01 -2.339844830e-01 4.92 -2.255525499e-01 -2.255525499e-01 4.94 -2.173330549e-01 -2.173330549e-01 4.96 -2.093280289e-01 -2.093280289e-01 4.98 -2.015413737e-01 -2.015413737e-01 5.00 -1.939784791e-01 -1.939784791e-01 5.02 -1.866456875e-01 -1.866456875e-01 5.04 -1.795496409e-01 -1.795496409e-01 5.06 -1.726965662e-01 -1.726965662e-01 5.08 -1.660914490e-01 -1.660914490e-01 5.10 -1.597373586e-01 -1.597373586e-01 5.12 -1.536356209e-01 -1.536356209e-01 5.14 -1.477850073e-01 -1.477850073e-01 5.16 -1.421816070e-01 -1.421816070e-01 5.18 -1.368189379e-01 -1.368189379e-01 5.20 -1.316882150e-01 -1.316882150e-01 5.22 -1.267787292e-01 -1.267787292e-01 5.24 -1.220782826e-01 -1.220782826e-01 5.26 -1.175736321e-01 -1.175736321e-01 5.28 -1.132509045e-01 -1.132509045e-01 5.30 -1.090959580e-01 -1.090959580e-01 5.32 -1.050946774e-01 -1.050946774e-01 5.34 -1.012332023e-01 -1.012332023e-01 5.36 -9.749809144e-02 -9.749809144e-02 5.38 -9.387643597e-02 -9.387643597e-02 5.40 -9.035593206e-02 -9.035593206e-02 5.42 -8.692492732e-02 -8.692492732e-02 5.44 -8.357245305e-02 -8.357245305e-02 5.46 -8.028825343e-02 -8.028825343e-02 5.48 -7.706282144e-02 -7.706282144e-02 5.50 -7.388744872e-02 -7.388744872e-02 5.52 -7.075429488e-02 -7.075429488e-02 5.54 -6.765647946e-02 -6.765647946e-02 5.56 -6.458819684e-02 -6.458819684e-02 5.58 -6.154485184e-02 -6.154485184e-02 5.60 -5.852321007e-02 -5.852321007e-02 5.62 -5.552155392e-02 -5.552155392e-02 5.64 -5.253983070e-02 -5.253983070e-02 5.66 -4.957977638e-02 -4.957977638e-02 5.68 -4.664499810e-02 -4.664499810e-02 5.70 -4.374099150e-02 -4.374099150e-02 5.72 -4.087507646e-02 -4.087507646e-02 5.74 -3.805623680e-02 -3.805623680e-02 5.76 -3.529485585e-02 -3.529485585e-02 5.78 -3.260235141e-02 -3.260235141e-02 5.80 -2.999071844e-02 -2.999071844e-02 5.82 -2.747201445e-02 -2.747201445e-02 5.84 -2.505781706e-02 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