# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb # implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1 # composition = Mo2NbW # 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 2024-01-04 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 4.926654080e+08 4.926654080e+08 1.08 3.094826444e+08 3.094826444e+08 1.10 1.944109247e+08 1.944109247e+08 1.12 1.221251879e+08 1.221251879e+08 1.14 7.671675177e+07 7.671675177e+07 1.16 4.819207135e+07 4.819207135e+07 1.18 3.027344309e+07 3.027344309e+07 1.20 1.901730615e+07 1.901730615e+07 1.22 1.194642563e+07 1.194642563e+07 1.24 7.504629677e+06 7.504629677e+06 1.26 4.714378645e+06 4.714378645e+06 1.28 2.961590955e+06 2.961590955e+06 1.30 1.860520352e+06 1.860520352e+06 1.32 1.168843624e+06 1.168843624e+06 1.34 7.343418518e+05 7.343418518e+05 1.36 4.613916249e+05 4.613916249e+05 1.38 2.899258635e+05 2.899258635e+05 1.40 1.822106344e+05 1.822106344e+05 1.42 1.145424775e+05 1.145424775e+05 1.44 7.203127214e+04 7.203127214e+04 1.46 4.532363507e+04 4.532363507e+04 1.48 2.854398105e+04 2.854398105e+04 1.50 1.800093033e+04 1.800093033e+04 1.52 1.137558964e+04 1.137558964e+04 1.54 7.211461230e+03 7.211461230e+03 1.56 4.593736710e+03 4.593736710e+03 1.58 2.947635999e+03 2.947635999e+03 1.60 1.912167798e+03 1.912167798e+03 1.62 1.260233555e+03 1.260233555e+03 1.64 8.492473660e+02 8.492473660e+02 1.66 5.898210354e+02 5.898210354e+02 1.68 4.257392430e+02 4.257392430e+02 1.70 3.216891035e+02 3.216891035e+02 1.72 2.554818898e+02 2.554818898e+02 1.74 2.131475997e+02 2.131475997e+02 1.76 1.859547712e+02 1.859547712e+02 1.78 1.683615870e+02 1.683615870e+02 1.80 1.567068398e+02 1.567068398e+02 1.82 1.487899194e+02 1.487899194e+02 1.84 1.437349258e+02 1.437349258e+02 1.86 1.397836376e+02 1.397836376e+02 1.88 1.369832931e+02 1.369832931e+02 1.90 1.348007094e+02 1.348007094e+02 1.92 1.328616557e+02 1.328616557e+02 1.94 1.309863838e+02 1.309863838e+02 1.96 1.292355003e+02 1.292355003e+02 1.98 1.275793033e+02 1.275793033e+02 2.00 1.260235041e+02 1.260235041e+02 2.02 1.245119375e+02 1.245119375e+02 2.04 1.231960501e+02 1.231960501e+02 2.06 1.220124806e+02 1.220124806e+02 2.08 1.209392547e+02 1.209392547e+02 2.10 1.200153065e+02 1.200153065e+02 2.12 1.192359513e+02 1.192359513e+02 2.14 1.185547079e+02 1.185547079e+02 2.16 1.179222417e+02 1.179222417e+02 2.18 1.173174854e+02 1.173174854e+02 2.20 1.167423433e+02 1.167423433e+02 2.22 1.123916066e+02 1.123916066e+02 2.24 1.039402243e+02 1.039402243e+02 2.26 1.001226897e+02 1.001226897e+02 2.28 9.458055638e+01 9.458055638e+01 2.30 6.915719234e+01 6.915719234e+01 2.32 4.995182551e+01 4.995182551e+01 2.34 3.437235008e+01 3.437235008e+01 2.36 2.027900998e+01 2.027900998e+01 2.38 9.860737653e+00 9.860737653e+00 2.40 3.117871961e+00 3.117871961e+00 2.42 -1.117528502e+00 -1.117528502e+00 2.44 -3.549732987e+00 -3.549732987e+00 2.46 -4.757027669e+00 -4.757027669e+00 2.48 -5.368386436e+00 -5.368386436e+00 2.50 -5.720567229e+00 -5.720567229e+00 2.52 -5.978301651e+00 -5.978301651e+00 2.54 -6.229382704e+00 -6.229382704e+00 2.56 -6.465134950e+00 -6.465134950e+00 2.58 -6.681817738e+00 -6.681817738e+00 2.60 -6.883537640e+00 -6.883537640e+00 2.62 -7.054082128e+00 -7.054082128e+00 2.64 -7.186362500e+00 -7.186362500e+00 2.66 -7.288936673e+00 -7.288936673e+00 2.68 -7.372497794e+00 -7.372497794e+00 2.70 -7.443847423e+00 -7.443847423e+00 2.72 -7.502167118e+00 -7.502167118e+00 2.74 -7.544506035e+00 -7.544506035e+00 2.76 -7.567067392e+00 -7.567067392e+00 2.78 -7.570713041e+00 -7.570713041e+00 2.80 -7.557271799e+00 -7.557271799e+00 2.82 -7.528967712e+00 -7.528967712e+00 2.84 -7.490301707e+00 -7.490301707e+00 2.86 -7.441084840e+00 -7.441084840e+00 2.88 -7.377753909e+00 -7.377753909e+00 2.90 -7.304935724e+00 -7.304935724e+00 2.92 -7.229748172e+00 -7.229748172e+00 2.94 -7.150885132e+00 -7.150885132e+00 2.96 -7.060997054e+00 -7.060997054e+00 2.98 -6.955791120e+00 -6.955791120e+00 3.00 -6.844641859e+00 -6.844641859e+00 3.02 -6.732863201e+00 -6.732863201e+00 3.04 -6.621393976e+00 -6.621393976e+00 3.06 -6.515638470e+00 -6.515638470e+00 3.08 -6.413299084e+00 -6.413299084e+00 3.10 -6.319251707e+00 -6.319251707e+00 3.12 -6.200979554e+00 -6.200979554e+00 3.14 -6.046767168e+00 -6.046767168e+00 3.16 -5.902003324e+00 -5.902003324e+00 3.18 -5.788278755e+00 -5.788278755e+00 3.20 -5.688607886e+00 -5.688607886e+00 3.22 -5.611861835e+00 -5.611861835e+00 3.24 -5.562986190e+00 -5.562986190e+00 3.26 -5.524013810e+00 -5.524013810e+00 3.28 -5.476447225e+00 -5.476447225e+00 3.30 -5.409928657e+00 -5.409928657e+00 3.32 -5.323389484e+00 -5.323389484e+00 3.34 -5.222371151e+00 -5.222371151e+00 3.36 -5.109164354e+00 -5.109164354e+00 3.38 -4.986122680e+00 -4.986122680e+00 3.40 -4.867331370e+00 -4.867331370e+00 3.42 -4.758353765e+00 -4.758353765e+00 3.44 -4.658850053e+00 -4.658850053e+00 3.46 -4.567218812e+00 -4.567218812e+00 3.48 -4.480525627e+00 -4.480525627e+00 3.50 -4.397263387e+00 -4.397263387e+00 3.52 -4.320306078e+00 -4.320306078e+00 3.54 -4.254994906e+00 -4.254994906e+00 3.56 -4.207451153e+00 -4.207451153e+00 3.58 -4.177529443e+00 -4.177529443e+00 3.60 -4.157612385e+00 -4.157612385e+00 3.62 -4.139087489e+00 -4.139087489e+00 3.64 -4.113477164e+00 -4.113477164e+00 3.66 -4.077668105e+00 -4.077668105e+00 3.68 -4.032876821e+00 -4.032876821e+00 3.70 -3.977850520e+00 -3.977850520e+00 3.72 -3.909106451e+00 -3.909106451e+00 3.74 -3.819551283e+00 -3.819551283e+00 3.76 -3.714936706e+00 -3.714936706e+00 3.78 -3.629942529e+00 -3.629942529e+00 3.80 -3.526112799e+00 -3.526112799e+00 3.82 -3.374114815e+00 -3.374114815e+00 3.84 -3.198031698e+00 -3.198031698e+00 3.86 -3.005654408e+00 -3.005654408e+00 3.88 -2.805084950e+00 -2.805084950e+00 3.90 -2.605264698e+00 -2.605264698e+00 3.92 -2.415481609e+00 -2.415481609e+00 3.94 -2.243135936e+00 -2.243135936e+00 3.96 -2.089305787e+00 -2.089305787e+00 3.98 -1.953662008e+00 -1.953662008e+00 4.00 -1.835529231e+00 -1.835529231e+00 4.02 -1.733672419e+00 -1.733672419e+00 4.04 -1.646837876e+00 -1.646837876e+00 4.06 -1.573822175e+00 -1.573822175e+00 4.08 -1.512888480e+00 -1.512888480e+00 4.10 -1.461900365e+00 -1.461900365e+00 4.12 -1.419740356e+00 -1.419740356e+00 4.14 -1.386452852e+00 -1.386452852e+00 4.16 -1.362150527e+00 -1.362150527e+00 4.18 -1.346965445e+00 -1.346965445e+00 4.20 -1.341188765e+00 -1.341188765e+00 4.22 -1.345983044e+00 -1.345983044e+00 4.24 -1.360752822e+00 -1.360752822e+00 4.26 -1.383277549e+00 -1.383277549e+00 4.28 -1.411237131e+00 -1.411237131e+00 4.30 -1.442266906e+00 -1.442266906e+00 4.32 -1.473974074e+00 -1.473974074e+00 4.34 -1.504136776e+00 -1.504136776e+00 4.36 -1.531968154e+00 -1.531968154e+00 4.38 -1.557348131e+00 -1.557348131e+00 4.40 -1.580174668e+00 -1.580174668e+00 4.42 -1.600352941e+00 -1.600352941e+00 4.44 -1.617788300e+00 -1.617788300e+00 4.46 -1.632148756e+00 -1.632148756e+00 4.48 -1.643029316e+00 -1.643029316e+00 4.50 -1.651092634e+00 -1.651092634e+00 4.52 -1.657141758e+00 -1.657141758e+00 4.54 -1.661979475e+00 -1.661979475e+00 4.56 -1.666411237e+00 -1.666411237e+00 4.58 -1.671007387e+00 -1.671007387e+00 4.60 -1.675727322e+00 -1.675727322e+00 4.62 -1.679593993e+00 -1.679593993e+00 4.64 -1.680859155e+00 -1.680859155e+00 4.66 -1.677643790e+00 -1.677643790e+00 4.68 -1.667993498e+00 -1.667993498e+00 4.70 -1.650680414e+00 -1.650680414e+00 4.72 -1.625480215e+00 -1.625480215e+00 4.74 -1.592746767e+00 -1.592746767e+00 4.76 -1.554924230e+00 -1.554924230e+00 4.78 -1.515384632e+00 -1.515384632e+00 4.80 -1.477447447e+00 -1.477447447e+00 4.82 -1.443733688e+00 -1.443733688e+00 4.84 -1.416195464e+00 -1.416195464e+00 4.86 -1.396629759e+00 -1.396629759e+00 4.88 -1.385615985e+00 -1.385615985e+00 4.90 -1.380889393e+00 -1.380889393e+00 4.92 -1.379784102e+00 -1.379784102e+00 4.94 -1.380778963e+00 -1.380778963e+00 4.96 -1.383077274e+00 -1.383077274e+00 4.98 -1.386048430e+00 -1.386048430e+00 5.00 -1.389257698e+00 -1.389257698e+00 5.02 -1.393938864e+00 -1.393938864e+00 5.04 -1.402154728e+00 -1.402154728e+00 5.06 -1.412230461e+00 -1.412230461e+00 5.08 -1.421611951e+00 -1.421611951e+00 5.10 -1.428148217e+00 -1.428148217e+00 5.12 -1.430033891e+00 -1.430033891e+00 5.14 -1.425512657e+00 -1.425512657e+00 5.16 -1.412944809e+00 -1.412944809e+00 5.18 -1.392680350e+00 -1.392680350e+00 5.20 -1.365413050e+00 -1.365413050e+00 5.22 -1.331984577e+00 -1.331984577e+00 5.24 -1.293573454e+00 -1.293573454e+00 5.26 -1.251778979e+00 -1.251778979e+00 5.28 -1.209009385e+00 -1.209009385e+00 5.30 -1.168118434e+00 -1.168118434e+00 5.32 -1.131785843e+00 -1.131785843e+00 5.34 -1.102709204e+00 -1.102709204e+00 5.36 -1.083702279e+00 -1.083702279e+00 5.38 -1.074711320e+00 -1.074711320e+00 5.40 -1.063376594e+00 -1.063376594e+00 5.42 -1.047631168e+00 -1.047631168e+00 5.44 -1.028166410e+00 -1.028166410e+00 5.46 -1.005766664e+00 -1.005766664e+00 5.48 -9.812224164e-01 -9.812224164e-01 5.50 -9.553419848e-01 -9.553419848e-01 5.52 -9.289499972e-01 -9.289499972e-01 5.54 -9.028992555e-01 -9.028992555e-01 5.56 -8.779665709e-01 -8.779665709e-01 5.58 -8.546213603e-01 -8.546213603e-01 5.60 -8.332586659e-01 -8.332586659e-01 5.62 -8.143647730e-01 -8.143647730e-01 5.64 -7.985081425e-01 -7.985081425e-01 5.66 -7.861801091e-01 -7.861801091e-01 5.68 -7.774295045e-01 -7.774295045e-01 5.70 -7.715755448e-01 -7.715755448e-01 5.72 -7.682231597e-01 -7.682231597e-01 5.74 -7.669741431e-01 -7.669741431e-01 5.76 -7.674346732e-01 -7.674346732e-01 5.78 -7.694783421e-01 -7.694783421e-01 5.80 -7.731705566e-01 -7.731705566e-01 5.82 -7.782044081e-01 -7.782044081e-01 5.84 -7.832190320e-01 -7.832190320e-01 5.86 -7.868263419e-01 -7.868263419e-01 5.88 -7.879907754e-01 -7.879907754e-01 5.90 -7.859120158e-01 -7.859120158e-01 5.92 -7.798896143e-01 -7.798896143e-01 5.94 -7.691974275e-01 -7.691974275e-01 5.96 -7.532166824e-01 -7.532166824e-01 5.98 -7.318053102e-01 -7.318053102e-01 6.00 -7.047840043e-01 -7.047840043e-01