# 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 = CuNiZr2 # 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 2.205822937e+02 2.205822937e+02 1.30 2.040268860e+02 2.040268860e+02 1.32 1.887030711e+02 1.887030711e+02 1.34 1.745131947e+02 1.745131947e+02 1.36 1.613689785e+02 1.613689785e+02 1.38 1.491906618e+02 1.491906618e+02 1.40 1.379057343e+02 1.379057343e+02 1.42 1.274471417e+02 1.274471417e+02 1.44 1.177517337e+02 1.177517337e+02 1.46 1.087599787e+02 1.087599787e+02 1.48 1.004166509e+02 1.004166509e+02 1.50 9.267117492e+01 9.267117492e+01 1.52 8.547724473e+01 8.547724473e+01 1.54 7.879222462e+01 7.879222462e+01 1.56 7.257687005e+01 7.257687005e+01 1.58 6.679550470e+01 6.679550470e+01 1.60 6.141617506e+01 6.141617506e+01 1.62 5.641045212e+01 5.641045212e+01 1.64 5.175288918e+01 5.175288918e+01 1.66 4.742036417e+01 4.742036417e+01 1.68 4.339149943e+01 4.339149943e+01 1.70 3.964636901e+01 3.964636901e+01 1.72 3.616626772e+01 3.616626772e+01 1.74 3.293355417e+01 3.293355417e+01 1.76 2.993152297e+01 2.993152297e+01 1.78 2.714439268e+01 2.714439268e+01 1.80 2.455728309e+01 2.455728309e+01 1.82 2.215620422e+01 2.215620422e+01 1.84 1.992787614e+01 1.992787614e+01 1.86 1.785980688e+01 1.785980688e+01 1.88 1.594111762e+01 1.594111762e+01 1.90 1.416113159e+01 1.416113159e+01 1.92 1.250989048e+01 1.250989048e+01 1.94 1.097837042e+01 1.097837042e+01 1.96 9.558283924e+00 9.558283924e+00 1.98 8.242064308e+00 8.242064308e+00 2.00 7.022791200e+00 7.022791200e+00 2.02 5.894111507e+00 5.894111507e+00 2.04 4.850149764e+00 4.850149764e+00 2.06 3.885398462e+00 3.885398462e+00 2.08 2.994611763e+00 2.994611763e+00 2.10 2.172744886e+00 2.172744886e+00 2.12 1.414967072e+00 1.414967072e+00 2.14 7.167085173e-01 7.167085173e-01 2.16 7.373944320e-02 7.373944320e-02 2.18 -5.178067278e-01 -5.178067278e-01 2.20 -1.061457860e+00 -1.061457860e+00 2.22 -1.560490696e+00 -1.560490696e+00 2.24 -2.017998070e+00 -2.017998070e+00 2.26 -2.436913465e+00 -2.436913465e+00 2.28 -2.820012798e+00 -2.820012798e+00 2.30 -3.169862041e+00 -3.169862041e+00 2.32 -3.488849410e+00 -3.488849410e+00 2.34 -3.779146175e+00 -3.779146175e+00 2.36 -4.042757245e+00 -4.042757245e+00 2.38 -4.281531909e+00 -4.281531909e+00 2.40 -4.497183308e+00 -4.497183308e+00 2.42 -4.691319249e+00 -4.691319249e+00 2.44 -4.865461817e+00 -4.865461817e+00 2.46 -5.021077367e+00 -5.021077367e+00 2.48 -5.159583658e+00 -5.159583658e+00 2.50 -5.282340959e+00 -5.282340959e+00 2.52 -5.390629741e+00 -5.390629741e+00 2.54 -5.485624117e+00 -5.485624117e+00 2.56 -5.568371092e+00 -5.568371092e+00 2.58 -5.639783852e+00 -5.639783852e+00 2.60 -5.700652919e+00 -5.700652919e+00 2.62 -5.751668575e+00 -5.751668575e+00 2.64 -5.793506980e+00 -5.793506980e+00 2.66 -5.826860743e+00 -5.826860743e+00 2.68 -5.852215537e+00 -5.852215537e+00 2.70 -5.870074670e+00 -5.870074670e+00 2.72 -5.880978477e+00 -5.880978477e+00 2.74 -5.885488830e+00 -5.885488830e+00 2.76 -5.884166742e+00 -5.884166742e+00 2.78 -5.877545122e+00 -5.877545122e+00 2.80 -5.866116884e+00 -5.866116884e+00 2.82 -5.850163795e+00 -5.850163795e+00 2.84 -5.829762199e+00 -5.829762199e+00 2.86 -5.804991250e+00 -5.804991250e+00 2.88 -5.775948938e+00 -5.775948938e+00 2.90 -5.742755042e+00 -5.742755042e+00 2.92 -5.705553978e+00 -5.705553978e+00 2.94 -5.664514208e+00 -5.664514208e+00 2.96 -5.619826590e+00 -5.619826590e+00 2.98 -5.571701571e+00 -5.571701571e+00 3.00 -5.520363777e+00 -5.520363777e+00 3.02 -5.466046402e+00 -5.466046402e+00 3.04 -5.408981630e+00 -5.408981630e+00 3.06 -5.349416423e+00 -5.349416423e+00 3.08 -5.287600120e+00 -5.287600120e+00 3.10 -5.223915043e+00 -5.223915043e+00 3.12 -5.158474478e+00 -5.158474478e+00 3.14 -5.091309000e+00 -5.091309000e+00 3.16 -5.022460694e+00 -5.022460694e+00 3.18 -4.952001046e+00 -4.952001046e+00 3.20 -4.880019929e+00 -4.880019929e+00 3.22 -4.806620078e+00 -4.806620078e+00 3.24 -4.731913725e+00 -4.731913725e+00 3.26 -4.656021818e+00 -4.656021818e+00 3.28 -4.579076861e+00 -4.579076861e+00 3.30 -4.501235359e+00 -4.501235359e+00 3.32 -4.422665714e+00 -4.422665714e+00 3.34 -4.343537609e+00 -4.343537609e+00 3.36 -4.264015339e+00 -4.264015339e+00 3.38 -4.184250605e+00 -4.184250605e+00 3.40 -4.104374929e+00 -4.104374929e+00 3.42 -4.024504398e+00 -4.024504398e+00 3.44 -3.944727660e+00 -3.944727660e+00 3.46 -3.865117084e+00 -3.865117084e+00 3.48 -3.785730141e+00 -3.785730141e+00 3.50 -3.706613265e+00 -3.706613265e+00 3.52 -3.627805191e+00 -3.627805191e+00 3.54 -3.549339521e+00 -3.549339521e+00 3.56 -3.471246545e+00 -3.471246545e+00 3.58 -3.393554469e+00 -3.393554469e+00 3.60 -3.316290245e+00 -3.316290245e+00 3.62 -3.239480181e+00 -3.239480181e+00 3.64 -3.163150514e+00 -3.163150514e+00 3.66 -3.087328098e+00 -3.087328098e+00 3.68 -3.012041397e+00 -3.012041397e+00 3.70 -2.937321908e+00 -2.937321908e+00 3.72 -2.863206113e+00 -2.863206113e+00 3.74 -2.789737943e+00 -2.789737943e+00 3.76 -2.716971553e+00 -2.716971553e+00 3.78 -2.644974037e+00 -2.644974037e+00 3.80 -2.573827504e+00 -2.573827504e+00 3.82 -2.503629819e+00 -2.503629819e+00 3.84 -2.434493322e+00 -2.434493322e+00 3.86 -2.366541074e+00 -2.366541074e+00 3.88 -2.299900623e+00 -2.299900623e+00 3.90 -2.234695841e+00 -2.234695841e+00 3.92 -2.171034434e+00 -2.171034434e+00 3.94 -2.109014343e+00 -2.109014343e+00 3.96 -2.048694070e+00 -2.048694070e+00 3.98 -1.990105715e+00 -1.990105715e+00 4.00 -1.933250407e+00 -1.933250407e+00 4.02 -1.878100982e+00 -1.878100982e+00 4.04 -1.824606710e+00 -1.824606710e+00 4.06 -1.772699055e+00 -1.772699055e+00 4.08 -1.722297574e+00 -1.722297574e+00 4.10 -1.673308160e+00 -1.673308160e+00 4.12 -1.625657281e+00 -1.625657281e+00 4.14 -1.579248428e+00 -1.579248428e+00 4.16 -1.533997651e+00 -1.533997651e+00 4.18 -1.489826465e+00 -1.489826465e+00 4.20 -1.446662974e+00 -1.446662974e+00 4.22 -1.404442631e+00 -1.404442631e+00 4.24 -1.363108809e+00 -1.363108809e+00 4.26 -1.322613310e+00 -1.322613310e+00 4.28 -1.282916876e+00 -1.282916876e+00 4.30 -1.243989721e+00 -1.243989721e+00 4.32 -1.205812043e+00 -1.205812043e+00 4.34 -1.168374428e+00 -1.168374428e+00 4.36 -1.131678026e+00 -1.131678026e+00 4.38 -1.095734348e+00 -1.095734348e+00 4.40 -1.060564557e+00 -1.060564557e+00 4.42 -1.026198153e+00 -1.026198153e+00 4.44 -9.926710358e-01 -9.926710358e-01 4.46 -9.600229792e-01 -9.600229792e-01 4.48 -9.282947106e-01 -9.282947106e-01 4.50 -8.975248076e-01 -8.975248076e-01 4.52 -8.677467185e-01 -8.677467185e-01 4.54 -8.389861932e-01 -8.389861932e-01 4.56 -8.112593714e-01 -8.112593714e-01 4.58 -7.845716791e-01 -7.845716791e-01 4.60 -7.589175789e-01 -7.589175789e-01 4.62 -7.342811049e-01 -7.342811049e-01 4.64 -7.106370318e-01 -7.106370318e-01 4.66 -6.879524747e-01 -6.879524747e-01 4.68 -6.661887071e-01 -6.661887071e-01 4.70 -6.453030045e-01 -6.453030045e-01 4.72 -6.252503615e-01 -6.252503615e-01 4.74 -6.059849834e-01 -6.059849834e-01 4.76 -5.874614976e-01 -5.874614976e-01 4.78 -5.696358750e-01 -5.696358750e-01 4.80 -5.524598751e-01 -5.524598751e-01 4.82 -5.359073026e-01 -5.359073026e-01 4.84 -5.199336801e-01 -5.199336801e-01 4.86 -5.045046525e-01 -5.045046525e-01 4.88 -4.895884565e-01 -4.895884565e-01 4.90 -4.751557868e-01 -4.751557868e-01 4.92 -4.611796115e-01 -4.611796115e-01 4.94 -4.476349631e-01 -4.476349631e-01 4.96 -4.344987180e-01 -4.344987180e-01 4.98 -4.217493801e-01 -4.217493801e-01 5.00 -4.093668746e-01 -4.093668746e-01 5.02 -3.973323590e-01 -3.973323590e-01 5.04 -3.856280547e-01 -3.856280547e-01 5.06 -3.742371022e-01 -3.742371022e-01 5.08 -3.631434419e-01 -3.631434419e-01 5.10 -3.523317221e-01 -3.523317221e-01 5.12 -3.417872362e-01 -3.417872362e-01 5.14 -3.314958911e-01 -3.314958911e-01 5.16 -3.214442083e-01 -3.214442083e-01 5.18 -3.116193605e-01 -3.116193605e-01 5.20 -3.020092437e-01 -3.020092437e-01 5.22 -2.926025880e-01 -2.926025880e-01 5.24 -2.833891026e-01 -2.833891026e-01 5.26 -2.743596554e-01 -2.743596554e-01 5.28 -2.655064775e-01 -2.655064775e-01 5.30 -2.568233833e-01 -2.568233833e-01 5.32 -2.483059892e-01 -2.483059892e-01 5.34 -2.399519110e-01 -2.399519110e-01 5.36 -2.317609138e-01 -2.317609138e-01 5.38 -2.237349865e-01 -2.237349865e-01 5.40 -2.158783139e-01 -2.158783139e-01 5.42 -2.081971229e-01 -2.081971229e-01 5.44 -2.006993892e-01 -2.006993892e-01 5.46 -1.933944048e-01 -1.933944048e-01 5.48 -1.862922214e-01 -1.862922214e-01 5.50 -1.794030057e-01 -1.794030057e-01 5.52 -1.727363550e-01 -1.727363550e-01 5.54 -1.663006295e-01 -1.663006295e-01 5.56 -1.601023611e-01 -1.601023611e-01 5.58 -1.541457879e-01 -1.541457879e-01 5.60 -1.484323232e-01 -1.484323232e-01 5.62 -1.429607636e-01 -1.429607636e-01 5.64 -1.377275711e-01 -1.377275711e-01 5.66 -1.327266465e-01 -1.327266465e-01 5.68 -1.279496523e-01 -1.279496523e-01 5.70 -1.233864100e-01 -1.233864100e-01 5.72 -1.190253279e-01 -1.190253279e-01 5.74 -1.148538240e-01 -1.148538240e-01 5.76 -1.108587160e-01 -1.108587160e-01 5.78 -1.070265617e-01 -1.070265617e-01 5.80 -1.033439397e-01 -1.033439397e-01 5.82 -9.979766965e-02 -9.979766965e-02 5.84 -9.637497605e-02 -9.637497605e-02 5.86 -9.306360223e-02 -9.306360223e-02 5.88 -8.985188490e-02 -8.985188490e-02 5.90 -8.672879848e-02 -8.672879848e-02 5.92 -8.368397924e-02 -8.368397924e-02 5.94 -8.070773803e-02 -8.070773803e-02 5.96 -7.779106927e-02 -7.779106927e-02 5.98 -7.492566265e-02 -7.492566265e-02 6.00 -7.210392262e-02 -7.210392262e-02