# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Al # implementation = 2018--Jeong-G-U--Pd-Al--LAMMPS--ipr1 # composition = AlPd3 # 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 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 1.176352212e+03 nan nan 0.86 1.087750506e+03 nan nan 0.88 1.005571956e+03 nan nan 0.90 9.293630337e+02 nan nan 0.92 8.587015557e+02 9.292104574e+02 nan 0.94 7.931945564e+02 8.672935893e+02 1.116818030e+03 0.96 7.324763036e+02 8.092669823e+02 1.043368969e+03 0.98 6.762064467e+02 7.548981418e+02 9.745062029e+02 1.00 6.240682889e+02 7.039677574e+02 9.099549745e+02 1.02 5.757671745e+02 6.562690018e+02 8.494563631e+02 1.04 5.310289850e+02 6.116068631e+02 7.927664085e+02 1.06 4.895987353e+02 5.697975105e+02 7.396552788e+02 1.08 4.512392646e+02 5.306676906e+02 6.899064834e+02 1.10 4.157300154e+02 4.940541540e+02 6.433161283e+02 1.12 3.828658941e+02 4.598031109e+02 5.996922110e+02 1.14 3.524562093e+02 4.277697135e+02 5.588539527e+02 1.16 3.243236806e+02 3.978175648e+02 5.206311678e+02 1.18 2.983035154e+02 3.698182526e+02 4.848636663e+02 1.20 2.742425472e+02 3.436509074e+02 4.514006888e+02 1.22 2.519984331e+02 3.192017828e+02 4.201003728e+02 1.24 2.314389050e+02 2.963638579e+02 3.908292470e+02 1.26 2.124410719e+02 2.750364603e+02 3.634617543e+02 1.28 1.948907698e+02 2.551249090e+02 3.378797996e+02 1.30 1.786819554e+02 2.365401762e+02 3.139723238e+02 1.32 1.637161414e+02 2.191985665e+02 2.916349003e+02 1.34 1.499018700e+02 2.030214136e+02 2.707693537e+02 1.36 1.371542230e+02 1.879347935e+02 2.512834001e+02 1.38 1.253943646e+02 1.738692522e+02 2.330903071e+02 1.40 1.145491162e+02 1.607595490e+02 2.161085722e+02 1.42 1.045505595e+02 1.485444133e+02 2.002616199e+02 1.44 9.533566787e+01 1.371663145e+02 1.854775151e+02 1.46 8.684596239e+01 1.265712451e+02 1.716886927e+02 1.48 7.902719161e+01 1.167085148e+02 1.588317025e+02 1.50 7.182903357e+01 1.075305566e+02 1.468469681e+02 1.52 6.520481832e+01 9.899274385e+01 1.356785596e+02 1.54 5.911126955e+01 9.105321645e+01 1.252739793e+02 1.56 5.350826420e+01 8.367271791e+01 1.155839591e+02 1.58 4.835860865e+01 7.681444082e+01 1.065622696e+02 1.60 4.362783048e+01 7.044388126e+01 9.816554020e+01 1.62 3.928398470e+01 6.452870135e+01 9.035308929e+01 1.64 3.529747345e+01 5.903859967e+01 8.308676407e+01 1.66 3.164087830e+01 5.394518897e+01 7.633078971e+01 1.68 2.828880422e+01 4.922188088e+01 7.005162704e+01 1.70 2.521773449e+01 4.484377727e+01 6.421783851e+01 1.72 2.240589576e+01 4.078756779e+01 5.879996182e+01 1.74 1.983313255e+01 3.703143334e+01 5.377039091e+01 1.76 1.748079061e+01 3.355495514e+01 4.910326378e+01 1.78 1.533160845e+01 3.033902907e+01 4.477435684e+01 1.80 1.336961651e+01 2.736578501e+01 4.076098551e+01 1.82 1.158004348e+01 2.461851086e+01 3.704191043e+01 1.84 9.949229232e+00 2.208158106e+01 3.359724935e+01 1.86 8.464543885e+00 1.974038931e+01 3.040839404e+01 1.88 7.114312646e+00 1.758128521e+01 2.745793221e+01 1.90 5.887745978e+00 1.559151473e+01 2.472957387e+01 1.92 4.774874742e+00 1.375916418e+01 2.220808223e+01 1.94 3.766489957e+00 1.207310747e+01 1.987920851e+01 1.96 2.854086868e+00 1.052295663e+01 1.772963077e+01 1.98 2.029813014e+00 9.099015196e+00 1.574689626e+01 2.00 1.286420019e+00 7.792234468e+00 1.391936727e+01 2.02 6.172188431e-01 6.594172379e+00 1.223617024e+01 2.04 1.603825532e-02 5.496954853e+00 1.068714785e+01 2.06 -5.228137019e-01 4.493239522e+00 9.262814019e+00 2.08 -1.004585464e+00 3.576181646e+00 7.954311649e+00 2.10 -1.434115111e+00 2.739402117e+00 6.753372875e+00 2.12 -1.815861126e+00 1.976957424e+00 5.652281737e+00 2.14 -2.153930922e+00 1.283311470e+00 4.643839122e+00 2.16 -2.452107292e+00 6.533091134e-01 3.721329831e+00 2.18 -2.713872931e+00 8.215136663e-02 2.878491666e+00 2.20 -2.942433160e+00 -4.346278835e-01 2.109486390e+00 2.22 -3.140736993e+00 -9.011836980e-01 1.408872487e+00 2.24 -3.311496655e+00 -1.321380546e+00 7.715795850e-01 2.26 -3.457205659e+00 -1.698811486e+00 1.928844558e-01 2.28 -3.580155559e+00 -2.036816136e+00 -3.316114958e-01 2.30 -3.682451462e+00 -2.338497522e+00 -8.060033536e-01 2.32 -3.766026385e+00 -2.606737845e+00 -1.234102496e+00 2.34 -3.832654557e+00 -2.844213268e+00 -1.619455169e+00 2.36 -3.883963720e+00 -3.053407743e+00 -1.965359899e+00 2.38 -3.921446525e+00 -3.236625967e+00 -2.274883814e+00 2.40 -3.946471065e+00 -3.396005507e+00 -2.550877941e+00 2.42 -3.960290623e+00 -3.533528141e+00 -2.795991539e+00 2.44 -3.964052690e+00 -3.651030478e+00 -3.012685520e+00 2.46 -3.958807300e+00 -3.750213879e+00 -3.203245037e+00 2.48 -3.945514736e+00 -3.832653744e+00 -3.369791249e+00 2.50 -3.925052655e+00 -3.899808193e+00 -3.514292355e+00 2.52 -3.898222669e+00 -3.953026176e+00 -3.638573914e+00 2.54 -3.865756427e+00 -3.993555059e+00 -3.744328504e+00 2.56 -3.828954498e+00 -4.022547702e+00 -3.833124764e+00 2.58 -3.795330258e+00 -4.041069082e+00 -3.906415846e+00 2.60 -3.761688638e+00 -4.050102467e+00 -3.965547325e+00 2.62 -3.711619395e+00 -4.050555187e+00 -4.011764598e+00 2.64 -3.658764544e+00 -4.043264017e+00 -4.046219794e+00 2.66 -3.603537017e+00 -4.029000204e+00 -4.069978239e+00 2.68 -3.546311254e+00 -4.008474149e+00 -4.084024494e+00 2.70 -3.487426390e+00 -3.982341650e+00 -4.089267998e+00 2.72 -3.427189199e+00 -3.951976789e+00 -4.086548339e+00 2.74 -3.365876802e+00 -3.922003983e+00 -4.076640172e+00 2.76 -3.303739168e+00 -3.887746076e+00 -4.060257819e+00 2.78 -3.241001408e+00 -3.844144295e+00 -4.038059552e+00 2.80 -3.177865899e+00 -3.797517440e+00 -4.010651600e+00 2.82 -3.114514225e+00 -3.748255921e+00 -3.978591877e+00 2.84 -3.051108977e+00 -3.696717054e+00 -3.942393469e+00 2.86 -2.987795396e+00 -3.643227534e+00 -3.902527880e+00 2.88 -2.924702894e+00 -3.588085739e+00 -3.859428052e+00 2.90 -2.861946445e+00 -3.531563871e+00 -3.813491197e+00 2.92 -2.799627865e+00 -3.473909952e+00 -3.765081413e+00 2.94 -2.737836987e+00 -3.415349674e+00 -3.714532140e+00 2.96 -2.676652746e+00 -3.356088117e+00 -3.662148434e+00 2.98 -2.616144161e+00 -3.296311350e+00 -3.608209091e+00 3.00 -2.556371251e+00 -3.236187914e+00 -3.552968620e+00 3.02 -2.497385865e+00 -3.175870201e+00 -3.496659079e+00 3.04 -2.439232447e+00 -3.115495728e+00 -3.439491784e+00 3.06 -2.381948734e+00 -3.055188326e+00 -3.381658896e+00 3.08 -2.325566397e+00 -2.995059241e+00 -3.323334897e+00 3.10 -2.270111629e+00 -2.935208148e+00 -3.264677962e+00 3.12 -2.215605678e+00 -2.875724097e+00 -3.205847623e+00 3.14 -2.162065341e+00 -2.816686391e+00 -3.148691303e+00 3.16 -2.109503408e+00 -2.758165389e+00 -3.099789202e+00 3.18 -2.057929077e+00 -2.700223259e+00 -3.053797969e+00 3.20 -2.007348319e+00 -2.642914672e+00 -2.993834162e+00 3.22 -1.957764225e+00 -2.586287437e+00 -2.934065784e+00 3.24 -1.909177314e+00 -2.530383100e+00 -2.874795476e+00 3.26 -1.861585816e+00 -2.475237485e+00 -2.816086164e+00 3.28 -1.814985930e+00 -2.420881202e+00 -2.757993272e+00 3.30 -1.769372053e+00 -2.367340109e+00 -2.700565361e+00 3.32 -1.724737002e+00 -2.314635749e+00 -2.643844714e+00 3.34 -1.681072198e+00 -2.262785736e+00 -2.587867882e+00 3.36 -1.638367846e+00 -2.211804129e+00 -2.532666183e+00 3.38 -1.596613091e+00 -2.161701761e+00 -2.478266171e+00 3.40 -1.555796164e+00 -2.112486553e+00 -2.424690060e+00 3.42 -1.515904511e+00 -2.064163793e+00 -2.371956120e+00 3.44 -1.476924908e+00 -2.016736402e+00 -2.320079042e+00 3.46 -1.438843571e+00 -1.970205172e+00 -2.269070271e+00 3.48 -1.401646248e+00 -1.924568985e+00 -2.218938320e+00 3.50 -1.365318306e+00 -1.879825015e+00 -2.169689048e+00 3.52 -1.329844809e+00 -1.835968915e+00 -2.121325926e+00 3.54 -1.295210584e+00 -1.792994983e+00 -2.073850275e+00 3.56 -1.261400287e+00 -1.750896319e+00 -2.027261489e+00 3.58 -1.228398456e+00 -1.709664967e+00 -1.981557233e+00 3.60 -1.196175798e+00 -1.669292040e+00 -1.936733634e+00 3.62 -1.162343166e+00 -1.629767845e+00 -1.892785446e+00 3.64 -1.117683061e+00 -1.591081983e+00 -1.849706210e+00 3.66 -1.085309773e+00 -1.553223450e+00 -1.807488392e+00 3.68 -1.076823640e+00 -1.516180726e+00 -1.766123518e+00 3.70 -1.053020283e+00 -1.479941856e+00 -1.725602288e+00 3.72 -1.029775413e+00 -1.444494521e+00 -1.685914686e+00 3.74 -1.007075665e+00 -1.409826104e+00 -1.647050080e+00 3.76 -9.849078776e-01 -1.375923753e+00 -1.608997306e+00 3.78 -9.632591040e-01 -1.342774432e+00 -1.571744759e+00 3.80 -9.421166231e-01 -1.310364969e+00 -1.535280456e+00 3.82 -9.214679480e-01 -1.278660132e+00 -1.499592110e+00 3.84 -9.013008328e-01 -1.245698914e+00 -1.464667188e+00 3.86 -8.816032780e-01 -1.201723880e+00 -1.430492965e+00 3.88 -8.623635346e-01 -1.130401194e+00 -1.397056574e+00 3.90 -8.435701069e-01 -1.063532912e+00 -1.364345049e+00 3.92 -8.252117547e-01 -1.037222072e+00 -1.332345366e+00 3.94 -8.072726945e-01 -1.011541240e+00 -1.301044477e+00 3.96 -7.856621882e-01 -9.864764195e-01 -1.270429343e+00 3.98 -7.282661576e-01 -9.620138155e-01 -1.240486960e+00 4.00 -5.581188642e-01 -9.381398435e-01 -1.211204386e+00 4.02 -2.608667754e-01 -9.148411387e-01 -1.182568762e+00 4.04 -2.303059575e-01 -8.921045628e-01 -1.154567331e+00 4.06 -2.232505536e-01 -8.699172106e-01 -1.127187455e+00 4.08 -2.164070973e-01 -8.482664136e-01 -1.100416632e+00 4.10 -2.097694566e-01 -8.271397441e-01 -1.074242504e+00 4.12 -2.033316540e-01 -8.065250175e-01 -1.048652872e+00 4.14 -1.970878652e-01 -7.864102934e-01 -1.023635705e+00 4.16 -1.910324175e-01 -7.667838763e-01 -9.991791441e-01 4.18 -1.851597871e-01 -7.476343160e-01 -9.752715136e-01 4.20 -1.794645975e-01 -7.289504063e-01 -9.519013233e-01 4.22 -1.739416168e-01 -7.107211838e-01 -9.290572739e-01 4.24 -1.685857552e-01 -6.929359263e-01 -9.067282594e-01 4.26 -1.633920627e-01 -6.755841501e-01 -8.849033702e-01 4.28 -1.583557261e-01 -6.586556080e-01 -8.635718941e-01 4.30 -1.534720665e-01 -6.421402856e-01 -8.427233170e-01 4.32 -1.487365363e-01 -6.260283985e-01 -8.223473238e-01 4.34 -1.441447167e-01 -6.103103886e-01 -8.024337974e-01 4.36 -1.396923143e-01 -5.949769204e-01 -7.829728184e-01 4.38 -1.353751589e-01 -5.800188772e-01 -7.639546633e-01 4.40 -1.311891999e-01 -5.654273568e-01 -7.453698035e-01 4.42 -1.267993993e-01 -5.500367033e-01 -7.257889378e-01 4.44 -1.180865870e-01 -5.192271944e-01 -6.871698398e-01 4.46 -9.503348527e-02 -4.344723845e-01 -5.806410320e-01 4.48 -4.803548590e-02 -2.419156032e-01 -3.308858783e-01 4.50 -3.772205926e-23 -2.942259507e-22 -2.611768021e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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