# 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 = PtTa2W # 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 4.774064620e+02 4.774064620e+02 1.30 4.444659034e+02 4.444659034e+02 1.32 4.138435720e+02 4.138435720e+02 1.34 3.853926679e+02 3.853926679e+02 1.36 3.589731604e+02 3.589731604e+02 1.38 3.344420737e+02 3.344420737e+02 1.40 3.116503964e+02 3.116503964e+02 1.42 2.904477938e+02 2.904477938e+02 1.44 2.706912084e+02 2.706912084e+02 1.46 2.522523798e+02 2.522523798e+02 1.48 2.350215012e+02 2.350215012e+02 1.50 2.189066907e+02 2.189066907e+02 1.52 2.038303807e+02 2.038303807e+02 1.54 1.897244133e+02 1.897244133e+02 1.56 1.765257432e+02 1.765257432e+02 1.58 1.641738880e+02 1.641738880e+02 1.60 1.526101808e+02 1.526101808e+02 1.62 1.417782589e+02 1.417782589e+02 1.64 1.316251474e+02 1.316251474e+02 1.66 1.221024612e+02 1.221024612e+02 1.68 1.131673748e+02 1.131673748e+02 1.70 1.047830039e+02 1.047830039e+02 1.72 9.691781076e+01 9.691781076e+01 1.74 8.954389260e+01 8.954389260e+01 1.76 8.263464675e+01 8.263464675e+01 1.78 7.616283527e+01 7.616283527e+01 1.80 7.009985584e+01 7.009985584e+01 1.82 6.441621990e+01 6.441621990e+01 1.84 5.908264981e+01 5.908264981e+01 1.86 5.407120579e+01 5.407120579e+01 1.88 4.935616613e+01 4.935616613e+01 1.90 4.491463648e+01 4.491463648e+01 1.92 4.072692688e+01 4.072692688e+01 1.94 3.677667550e+01 3.677667550e+01 1.96 3.305491355e+01 3.305491355e+01 1.98 2.955641684e+01 2.955641684e+01 2.00 2.628100206e+01 2.628100206e+01 2.02 2.326701275e+01 2.326701275e+01 2.04 2.050463272e+01 2.050463272e+01 2.06 1.797587746e+01 1.797587746e+01 2.08 1.566248423e+01 1.566248423e+01 2.10 1.354635357e+01 1.354635357e+01 2.12 1.161004846e+01 1.161004846e+01 2.14 9.837212234e+00 9.837212234e+00 2.16 8.212851425e+00 8.212851425e+00 2.18 6.723483965e+00 6.723483965e+00 2.20 5.357168399e+00 5.357168399e+00 2.22 4.103430986e+00 4.103430986e+00 2.24 2.953112414e+00 2.953112414e+00 2.26 1.898164439e+00 1.898164439e+00 2.28 9.314305618e-01 9.314305618e-01 2.30 4.644102712e-02 4.644102712e-02 2.32 -7.627564158e-01 -7.627564158e-01 2.34 -1.501718525e+00 -1.501718525e+00 2.36 -2.175679549e+00 -2.175679549e+00 2.38 -2.789581542e+00 -2.789581542e+00 2.40 -3.348074354e+00 -3.348074354e+00 2.42 -3.855500427e+00 -3.855500427e+00 2.44 -4.315878898e+00 -4.315878898e+00 2.46 -4.732900237e+00 -4.732900237e+00 2.48 -5.109937474e+00 -5.109937474e+00 2.50 -5.450073232e+00 -5.450073232e+00 2.52 -5.756134848e+00 -5.756134848e+00 2.54 -6.030725944e+00 -6.030725944e+00 2.56 -6.276245003e+00 -6.276245003e+00 2.58 -6.494889214e+00 -6.494889214e+00 2.60 -6.688650375e+00 -6.688650375e+00 2.62 -6.859313266e+00 -6.859313266e+00 2.64 -7.008464030e+00 -7.008464030e+00 2.66 -7.137509638e+00 -7.137509638e+00 2.68 -7.247680528e+00 -7.247680528e+00 2.70 -7.339980170e+00 -7.339980170e+00 2.72 -7.415394560e+00 -7.415394560e+00 2.74 -7.475060419e+00 -7.475060419e+00 2.76 -7.520015543e+00 -7.520015543e+00 2.78 -7.551204883e+00 -7.551204883e+00 2.80 -7.569974451e+00 -7.569974451e+00 2.82 -7.578247390e+00 -7.578247390e+00 2.84 -7.576462155e+00 -7.576462155e+00 2.86 -7.564971375e+00 -7.564971375e+00 2.88 -7.544004418e+00 -7.544004418e+00 2.90 -7.513431270e+00 -7.513431270e+00 2.92 -7.473170883e+00 -7.473170883e+00 2.94 -7.423284736e+00 -7.423284736e+00 2.96 -7.363969770e+00 -7.363969770e+00 2.98 -7.295543745e+00 -7.295543745e+00 3.00 -7.218421068e+00 -7.218421068e+00 3.02 -7.133080079e+00 -7.133080079e+00 3.04 -7.040025685e+00 -7.040025685e+00 3.06 -6.939753108e+00 -6.939753108e+00 3.08 -6.832718382e+00 -6.832718382e+00 3.10 -6.719319588e+00 -6.719319588e+00 3.12 -6.599890223e+00 -6.599890223e+00 3.14 -6.474703889e+00 -6.474703889e+00 3.16 -6.343987962e+00 -6.343987962e+00 3.18 -6.207943418e+00 -6.207943418e+00 3.20 -6.066767924e+00 -6.066767924e+00 3.22 -5.920679583e+00 -5.920679583e+00 3.24 -5.769939069e+00 -5.769939069e+00 3.26 -5.614868093e+00 -5.614868093e+00 3.28 -5.455862506e+00 -5.455862506e+00 3.30 -5.293398731e+00 -5.293398731e+00 3.32 -5.128032823e+00 -5.128032823e+00 3.34 -4.960392176e+00 -4.960392176e+00 3.36 -4.791160661e+00 -4.791160661e+00 3.38 -4.621058650e+00 -4.621058650e+00 3.40 -4.450819739e+00 -4.450819739e+00 3.42 -4.281166168e+00 -4.281166168e+00 3.44 -4.112784720e+00 -4.112784720e+00 3.46 -3.946304656e+00 -3.946304656e+00 3.48 -3.782278910e+00 -3.782278910e+00 3.50 -3.621169506e+00 -3.621169506e+00 3.52 -3.463341556e+00 -3.463341556e+00 3.54 -3.309125985e+00 -3.309125985e+00 3.56 -3.158811230e+00 -3.158811230e+00 3.58 -3.012587029e+00 -3.012587029e+00 3.60 -2.870556939e+00 -2.870556939e+00 3.62 -2.732756815e+00 -2.732756815e+00 3.64 -2.599175379e+00 -2.599175379e+00 3.66 -2.469775307e+00 -2.469775307e+00 3.68 -2.344513090e+00 -2.344513090e+00 3.70 -2.223356055e+00 -2.223356055e+00 3.72 -2.106295122e+00 -2.106295122e+00 3.74 -1.993352305e+00 -1.993352305e+00 3.76 -1.884582456e+00 -1.884582456e+00 3.78 -1.780069362e+00 -1.780069362e+00 3.80 -1.679916930e+00 -1.679916930e+00 3.82 -1.584236711e+00 -1.584236711e+00 3.84 -1.493133447e+00 -1.493133447e+00 3.86 -1.406690480e+00 -1.406690480e+00 3.88 -1.324956793e+00 -1.324956793e+00 3.90 -1.247937110e+00 -1.247937110e+00 3.92 -1.175585977e+00 -1.175585977e+00 3.94 -1.107806188e+00 -1.107806188e+00 3.96 -1.044451304e+00 -1.044451304e+00 3.98 -9.853316477e-01 -9.853316477e-01 4.00 -9.302228499e-01 -9.302228499e-01 4.02 -8.788759137e-01 -8.788759137e-01 4.04 -8.310278425e-01 -8.310278425e-01 4.06 -7.864119718e-01 -7.864119718e-01 4.08 -7.447673281e-01 -7.447673281e-01 4.10 -7.058464997e-01 -7.058464997e-01 4.12 -6.694216887e-01 -6.694216887e-01 4.14 -6.352886558e-01 -6.352886558e-01 4.16 -6.032685708e-01 -6.032685708e-01 4.18 -5.732077551e-01 -5.732077551e-01 4.20 -5.449755712e-01 -5.449755712e-01 4.22 -5.184608343e-01 -5.184608343e-01 4.24 -4.935672695e-01 -4.935672695e-01 4.26 -4.702086144e-01 -4.702086144e-01 4.28 -4.483039636e-01 -4.483039636e-01 4.30 -4.277738557e-01 -4.277738557e-01 4.32 -4.085374335e-01 -4.085374335e-01 4.34 -3.905108054e-01 -3.905108054e-01 4.36 -3.736065373e-01 -3.736065373e-01 4.38 -3.577340944e-01 -3.577340944e-01 4.40 -3.428008930e-01 -3.428008930e-01 4.42 -3.287137048e-01 -3.287137048e-01 4.44 -3.153802867e-01 -3.153802867e-01 4.46 -3.027111509e-01 -3.027111509e-01 4.48 -2.906191365e-01 -2.906191365e-01 4.50 -2.790215864e-01 -2.790215864e-01 4.52 -2.678411528e-01 -2.678411528e-01 4.54 -2.570062156e-01 -2.570062156e-01 4.56 -2.464512193e-01 -2.464512193e-01 4.58 -2.361168912e-01 -2.361168912e-01 4.60 -2.259505675e-01 -2.259505675e-01 4.62 -2.159070297e-01 -2.159070297e-01 4.64 -2.059484942e-01 -2.059484942e-01 4.66 -1.960451686e-01 -1.960451686e-01 4.68 -1.861758713e-01 -1.861758713e-01 4.70 -1.763286290e-01 -1.763286290e-01 4.72 -1.665011778e-01 -1.665011778e-01 4.74 -1.567012737e-01 -1.567012737e-01 4.76 -1.469467019e-01 -1.469467019e-01 4.78 -1.372648838e-01 -1.372648838e-01 4.80 -1.276919960e-01 -1.276919960e-01 4.82 -1.182715655e-01 -1.182715655e-01 4.84 -1.090525504e-01 -1.090525504e-01 4.86 -1.000870016e-01 -1.000870016e-01 4.88 -9.142744764e-02 -9.142744764e-02 4.90 -8.312420472e-02 -8.312420472e-02 4.92 -7.522283574e-02 -7.522283574e-02 4.94 -6.776197072e-02 -6.776197072e-02 4.96 -6.077166120e-02 -6.077166120e-02 4.98 -5.427237479e-02 -5.427237479e-02 5.00 -4.827466210e-02 -4.827466210e-02 5.02 -4.277943895e-02 -4.277943895e-02 5.04 -3.777879783e-02 -3.777879783e-02 5.06 -3.325720862e-02 -3.325720862e-02 5.08 -2.919294722e-02 -2.919294722e-02 5.10 -2.555960614e-02 -2.555960614e-02 5.12 -2.232755392e-02 -2.232755392e-02 5.14 -1.946528716e-02 -1.946528716e-02 5.16 -1.694053508e-02 -1.694053508e-02 5.18 -1.472094924e-02 -1.472094924e-02 5.20 -1.277584936e-02 -1.277584936e-02 5.22 -1.107608217e-02 -1.107608217e-02 5.24 -9.594285871e-03 -9.594285871e-03 5.26 -8.305158281e-03 -8.305158281e-03 5.28 -7.185585703e-03 -7.185585703e-03 5.30 -6.214666567e-03 -6.214666567e-03 5.32 -5.373659002e-03 -5.373659002e-03 5.34 -4.645876481e-03 -4.645876481e-03 5.36 -4.016550715e-03 -4.016550715e-03 5.38 -3.472676510e-03 -3.472676510e-03 5.40 -3.002849463e-03 -3.002849463e-03 5.42 -2.597104271e-03 -2.597104271e-03 5.44 -2.246758921e-03 -2.246758921e-03 5.46 -1.944268138e-03 -1.944268138e-03 5.48 -1.683088007e-03 -1.683088007e-03 5.50 -1.457552685e-03 -1.457552685e-03 5.52 -1.262763359e-03 -1.262763359e-03 5.54 -1.094489125e-03 -1.094489125e-03 5.56 -9.490791547e-04 -9.490791547e-04 5.58 -8.233853152e-04 -8.233853152e-04 5.60 -7.146943387e-04 -7.146943387e-04 5.62 -6.206685979e-04 -6.206685979e-04 5.64 -5.392945671e-04 -5.392945671e-04 5.66 -4.688380954e-04 -4.688380954e-04 5.68 -4.078056778e-04 -4.078056778e-04 5.70 -3.549109835e-04 -3.549109835e-04 5.72 -3.090459689e-04 -3.090459689e-04 5.74 -2.692559801e-04 -2.692559801e-04 5.76 -2.347183123e-04 -2.347183123e-04 5.78 -2.047237621e-04 -2.047237621e-04 5.80 -1.786607622e-04 -1.786607622e-04 5.82 -1.560017440e-04 -1.560017440e-04 5.84 -1.362914177e-04 -1.362914177e-04 5.86 -1.191367021e-04 -1.191367021e-04 5.88 -1.041980729e-04 -1.041980729e-04 5.90 -9.118212869e-05 -9.118212869e-05 5.92 -7.983520342e-05 -7.983520342e-05 5.94 -6.993787642e-05 -6.993787642e-05 5.96 -6.130025342e-05 -6.130025342e-05 5.98 -5.375790885e-05 -5.375790885e-05 6.00 -4.716839586e-05 -4.716839586e-05