# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlMn2Ni # 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 2025-07-01 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 2.097092245e+02 2.097092245e+02 1.10 1.937507606e+02 1.937507606e+02 1.12 1.787687548e+02 1.787687548e+02 1.14 1.648907813e+02 1.648907813e+02 1.16 1.522958767e+02 1.522958767e+02 1.18 1.406134331e+02 1.406134331e+02 1.20 1.302309382e+02 1.302309382e+02 1.22 1.202578331e+02 1.202578331e+02 1.24 1.109455392e+02 1.109455392e+02 1.26 1.025300819e+02 1.025300248e+02 1.28 9.469483851e+01 9.469483851e+01 1.30 8.746925829e+01 8.746925829e+01 1.32 8.063509527e+01 8.063509527e+01 1.34 7.459664105e+01 7.459664105e+01 1.36 6.871453843e+01 6.871453843e+01 1.38 6.329472728e+01 6.329472728e+01 1.40 5.825094791e+01 5.825094791e+01 1.42 5.357906564e+01 5.357906564e+01 1.44 4.950914750e+01 4.950914750e+01 1.46 4.568154427e+01 4.568154427e+01 1.48 4.191511401e+01 4.191511401e+01 1.50 3.842416044e+01 3.842416044e+01 1.52 3.528953628e+01 3.528953628e+01 1.54 3.245960528e+01 3.245960528e+01 1.56 2.964961498e+01 2.964961498e+01 1.58 2.707944750e+01 2.707944750e+01 1.60 2.466089147e+01 2.466089147e+01 1.62 2.241863891e+01 2.241863891e+01 1.64 2.033988785e+01 2.033988785e+01 1.66 1.851072378e+01 1.851072378e+01 1.68 1.680451536e+01 1.680451536e+01 1.70 1.513235901e+01 1.513235901e+01 1.72 1.358321820e+01 1.358321820e+01 1.74 1.224877077e+01 1.224877077e+01 1.76 1.091132482e+01 1.091132482e+01 1.78 9.673359542e+00 9.673359542e+00 1.80 8.527877471e+00 8.527877471e+00 1.82 7.599321097e+00 7.599321097e+00 1.84 6.608668098e+00 6.608668098e+00 1.86 5.873490160e+00 5.873490160e+00 1.88 5.013021361e+00 5.013021361e+00 1.90 4.219056199e+00 4.219056199e+00 1.92 3.486952072e+00 3.486952072e+00 1.94 2.863720354e+00 2.863720354e+00 1.96 2.238669950e+00 2.238669950e+00 1.98 1.663747174e+00 1.663747174e+00 2.00 1.135459902e+00 1.135459902e+00 2.02 6.505589402e-01 6.505589402e-01 2.04 2.060201415e-01 2.060201415e-01 2.06 -2.009720466e-01 -2.009720466e-01 2.08 -5.730397306e-01 -5.730397306e-01 2.10 -8.317961458e-01 -8.317947758e-01 2.12 -1.102992190e+00 -1.102992190e+00 2.14 -1.393193961e+00 -1.393193961e+00 2.16 -1.656624471e+00 -1.656624471e+00 2.18 -1.895176516e+00 -1.895176516e+00 2.20 -2.110614996e+00 -2.110614996e+00 2.22 -2.304585805e+00 -2.304585805e+00 2.24 -2.375931300e+00 -2.375931300e+00 2.26 -2.538494422e+00 -2.538494422e+00 2.28 -2.683412417e+00 -2.683412417e+00 2.30 -2.811964353e+00 -2.811964353e+00 2.32 -2.925343686e+00 -2.925343686e+00 2.34 -3.024664040e+00 -3.024664040e+00 2.36 -3.110964581e+00 -3.110964581e+00 2.38 -3.185215006e+00 -3.185215006e+00 2.40 -3.248320187e+00 -3.248320187e+00 2.42 -3.301124486e+00 -3.301124486e+00 2.44 -3.239051450e+00 -3.239051450e+00 2.46 -3.280330789e+00 -3.280330789e+00 2.48 -3.313085625e+00 -3.313085625e+00 2.50 -3.337983120e+00 -3.337983120e+00 2.52 -3.264262417e+00 -3.264262417e+00 2.54 -3.281042648e+00 -3.281042648e+00 2.56 -3.291347254e+00 -3.291347254e+00 2.58 -3.295703973e+00 -3.295703973e+00 2.60 -3.294605013e+00 -3.294605013e+00 2.62 -3.288509348e+00 -3.288509348e+00 2.64 -3.277844862e+00 -3.277844862e+00 2.66 -3.263010352e+00 -3.263010352e+00 2.68 -3.244377407e+00 -3.244377407e+00 2.70 -3.222292157e+00 -3.222292157e+00 2.72 -3.197076913e+00 -3.197076913e+00 2.74 -3.143102599e+00 -3.143102599e+00 2.76 -3.113964274e+00 -3.113964274e+00 2.78 -3.082452906e+00 -3.082452906e+00 2.80 -3.048814483e+00 -3.048814483e+00 2.82 -3.013277664e+00 -3.013277664e+00 2.84 -2.976054897e+00 -2.976054897e+00 2.86 -2.937343460e+00 -2.937343460e+00 2.88 -2.897326440e+00 -2.897326440e+00 2.90 -2.856173646e+00 -2.856173646e+00 2.92 -2.814042466e+00 -2.814042466e+00 2.94 -2.771078673e+00 -2.771078673e+00 2.96 -2.727417176e+00 -2.727417176e+00 2.98 -2.683182724e+00 -2.683182724e+00 3.00 -2.638490568e+00 -2.638490568e+00 3.02 -2.593447081e+00 -2.593447081e+00 3.04 -2.548150336e+00 -2.548150336e+00 3.06 -2.502690653e+00 -2.502690653e+00 3.08 -2.457151106e+00 -2.457151106e+00 3.10 -2.411608003e+00 -2.411608003e+00 3.12 -2.366131331e+00 -2.366131331e+00 3.14 -2.320785179e+00 -2.320785179e+00 3.16 -2.241395551e+00 -2.241395551e+00 3.18 -2.198196614e+00 -2.198196614e+00 3.20 -2.155203305e+00 -2.155203305e+00 3.22 -2.112464033e+00 -2.112464033e+00 3.24 -2.070022841e+00 -2.070022841e+00 3.26 -2.027919697e+00 -2.027919697e+00 3.28 -1.986190772e+00 -1.986190772e+00 3.30 -1.850739767e+00 -1.850739767e+00 3.32 -1.814411810e+00 -1.814411810e+00 3.34 -1.778326560e+00 -1.778326560e+00 3.36 -1.742517911e+00 -1.742517911e+00 3.38 -1.707016611e+00 -1.707016611e+00 3.40 -1.671850471e+00 -1.671850471e+00 3.42 -1.637044558e+00 -1.637044558e+00 3.44 -1.602621386e+00 -1.602621386e+00 3.46 -1.568601080e+00 -1.568601080e+00 3.48 -1.535001550e+00 -1.535001550e+00 3.50 -1.501838632e+00 -1.501838632e+00 3.52 -1.469126243e+00 -1.469126243e+00 3.54 -1.436876507e+00 -1.436876507e+00 3.56 -1.405099887e+00 -1.405099887e+00 3.58 -1.373805301e+00 -1.373805301e+00 3.60 -1.343000234e+00 -1.343000234e+00 3.62 -1.312690845e+00 -1.312690845e+00 3.64 -1.282882059e+00 -1.282882059e+00 3.66 -1.253577666e+00 -1.253577666e+00 3.68 -1.224780402e+00 -1.224780402e+00 3.70 -1.196492035e+00 -1.196492035e+00 3.72 -1.168713433e+00 -1.168713433e+00 3.74 -1.141444643e+00 -1.141444643e+00 3.76 -1.114684952e+00 -1.114684952e+00 3.78 -1.088432952e+00 -1.088432952e+00 3.80 -1.062686597e+00 -1.062686597e+00 3.82 -1.037443255e+00 -1.037443255e+00 3.84 -1.012699767e+00 -1.012699767e+00 3.86 -9.349844036e-01 -9.349844036e-01 3.88 -9.133725815e-01 -9.133725815e-01 3.90 -8.921625339e-01 -8.921625339e-01 3.92 -8.713528270e-01 -8.713528270e-01 3.94 -8.509415701e-01 -8.509415701e-01 3.96 -8.309264547e-01 -8.309264547e-01 3.98 -8.113047898e-01 -8.113047898e-01 4.00 -7.920735365e-01 -7.920735365e-01 4.02 -7.732293395e-01 -7.732293395e-01 4.04 -7.547685566e-01 -7.547685566e-01 4.06 -7.366872868e-01 -7.366872868e-01 4.08 -7.189813958e-01 -7.189813958e-01 4.10 -7.016465405e-01 -7.016465405e-01 4.12 -6.846781914e-01 -6.846781914e-01 4.14 -6.680716541e-01 -6.680716541e-01 4.16 -6.518220884e-01 -6.518220884e-01 4.18 -6.359245270e-01 -6.359245270e-01 4.20 -6.203738926e-01 -6.203738926e-01 4.22 -6.051650135e-01 -6.051650135e-01 4.24 -5.902926387e-01 -5.902926387e-01 4.26 -5.757514513e-01 -5.757514513e-01 4.28 -5.615360813e-01 -5.615360813e-01 4.30 -5.476411178e-01 -5.476411178e-01 4.32 -5.340611194e-01 -5.340611194e-01 4.34 -5.207906246e-01 -5.207906246e-01 4.36 -5.078241611e-01 -5.078241611e-01 4.38 -4.951562543e-01 -4.951562543e-01 4.40 -4.827814356e-01 -4.827814356e-01 4.42 -4.706942494e-01 -4.706942494e-01 4.44 -4.588892600e-01 -4.588892600e-01 4.46 -4.473610575e-01 -4.473610575e-01 4.48 -4.361042640e-01 -4.361042640e-01 4.50 -4.251135382e-01 -4.251135382e-01 4.52 -4.143835804e-01 -4.143835804e-01 4.54 -4.039091365e-01 -4.039091365e-01 4.56 -3.936850024e-01 -3.936850024e-01 4.58 -3.837060269e-01 -3.837060269e-01 4.60 -3.739671152e-01 -3.739671152e-01 4.62 -3.644632318e-01 -3.644632318e-01 4.64 -3.551894025e-01 -3.551894025e-01 4.66 -3.461407173e-01 -3.461407173e-01 4.68 -3.373123318e-01 -3.373123318e-01 4.70 -3.286994693e-01 -3.286994693e-01 4.72 -3.202974221e-01 -3.202974221e-01 4.74 -3.121015528e-01 -3.121015528e-01 4.76 -3.041072954e-01 -3.041072954e-01 4.78 -2.963101562e-01 -2.963101562e-01 4.80 -2.887057143e-01 -2.887057143e-01 4.82 -2.812896225e-01 -2.812896225e-01 4.84 -2.740576074e-01 -2.740576074e-01 4.86 -2.670054700e-01 -2.670054700e-01 4.88 -2.601290854e-01 -2.601290854e-01 4.90 -2.534244032e-01 -2.534244032e-01 4.92 -2.468874472e-01 -2.468874472e-01 4.94 -2.405143155e-01 -2.405143155e-01 4.96 -2.343011797e-01 -2.343011797e-01 4.98 -2.282442850e-01 -2.282442850e-01 5.00 -2.223399499e-01 -2.223399499e-01 5.02 -2.165845650e-01 -2.165845650e-01 5.04 -2.109745930e-01 -2.109745930e-01 5.06 -2.055065682e-01 -2.055065682e-01 5.08 -2.001770952e-01 -2.001770952e-01 5.10 -1.949828487e-01 -1.949828487e-01 5.12 -1.899205727e-01 -1.899205727e-01 5.14 -1.849870792e-01 -1.849870792e-01 5.16 -1.801792481e-01 -1.801792481e-01 5.18 -1.754940258e-01 -1.754940258e-01 5.20 -1.709284245e-01 -1.709284245e-01 5.22 -1.664795211e-01 -1.664795211e-01 5.24 -1.621444566e-01 -1.621444566e-01 5.26 -1.579204348e-01 -1.579204348e-01 5.28 -1.538047216e-01 -1.538047216e-01 5.30 -1.497946438e-01 -1.497946438e-01 5.32 -1.458875883e-01 -1.458875883e-01 5.34 -1.420810009e-01 -1.420810009e-01 5.36 -1.383723854e-01 -1.383723854e-01 5.38 -1.347593027e-01 -1.347593027e-01 5.40 -1.312393697e-01 -1.312393697e-01 5.42 -1.278102580e-01 -1.278102580e-01 5.44 -1.244696935e-01 -1.244696935e-01 5.46 -9.503002568e-02 -9.503002568e-02 5.48 -9.262569083e-02 -9.262569083e-02 5.50 -9.028111385e-02 -9.028111385e-02 5.52 -8.799486711e-02 -8.799486711e-02 5.54 -8.576555400e-02 -8.576555400e-02 5.56 -8.359180842e-02 -8.359180842e-02 5.58 -8.147229429e-02 -8.147229429e-02 5.60 -7.940570501e-02 -7.940570501e-02 5.62 -7.739076299e-02 -7.739076299e-02 5.64 -7.542621911e-02 -7.542621911e-02 5.66 -7.351085226e-02 -7.351085226e-02 5.68 -7.164346877e-02 -7.164346877e-02 5.70 -6.982290198e-02 -6.982290198e-02 5.72 -6.804801168e-02 -6.804801168e-02 5.74 -6.631768364e-02 -6.631768364e-02 5.76 -6.463082912e-02 -6.463082912e-02 5.78 -6.298638436e-02 -6.298638436e-02 5.80 -6.138331012e-02 -6.138331012e-02 5.82 -5.982059117e-02 -5.982059117e-02 5.84 -5.829723583e-02 -5.829723583e-02 5.86 -5.681227551e-02 -5.681227551e-02 5.88 -5.536476420e-02 -5.536476420e-02 5.90 -5.395377806e-02 -5.395377806e-02 5.92 -5.257841492e-02 -5.257841492e-02 5.94 -5.123779387e-02 -5.123779387e-02 5.96 -4.993105479e-02 -4.993105479e-02 5.98 -4.865735790e-02 -4.865735790e-02 6.00 -4.741588338e-02 -4.741588338e-02