# 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 = Ag2PtW # 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 3.826704194e+02 3.826704194e+02 1.30 3.552471374e+02 3.552471374e+02 1.32 3.297470421e+02 3.297470421e+02 1.34 3.060508771e+02 3.060508771e+02 1.36 2.840551462e+02 2.840551462e+02 1.38 2.636566249e+02 2.636566249e+02 1.40 2.447434493e+02 2.447434493e+02 1.42 2.271965534e+02 2.271965534e+02 1.44 2.108976388e+02 2.108976388e+02 1.46 1.957374923e+02 1.957374923e+02 1.48 1.816204132e+02 1.816204132e+02 1.50 1.684638030e+02 1.684638030e+02 1.52 1.561947767e+02 1.561947767e+02 1.54 1.447466648e+02 1.447466648e+02 1.56 1.340571685e+02 1.340571685e+02 1.58 1.240680546e+02 1.240680546e+02 1.60 1.147254276e+02 1.147254276e+02 1.62 1.059800137e+02 1.059800137e+02 1.64 9.778747553e+01 9.778747553e+01 1.66 9.010884045e+01 9.010884045e+01 1.68 8.291082522e+01 8.291082522e+01 1.70 7.616565295e+01 7.616565295e+01 1.72 6.985005114e+01 6.985005114e+01 1.74 6.394363514e+01 6.394363514e+01 1.76 5.842692480e+01 5.842692480e+01 1.78 5.327934768e+01 5.327934768e+01 1.80 4.852060020e+01 4.852060020e+01 1.82 4.414793201e+01 4.414793201e+01 1.84 4.012967766e+01 4.012967766e+01 1.86 3.643440168e+01 3.643440168e+01 1.88 3.303349244e+01 3.303349244e+01 1.90 2.990126710e+01 2.990126710e+01 1.92 2.701482733e+01 2.701482733e+01 1.94 2.435386086e+01 2.435386086e+01 1.96 2.190039111e+01 2.190039111e+01 1.98 1.963846328e+01 1.963846328e+01 2.00 1.755377961e+01 1.755377961e+01 2.02 1.563332649e+01 1.563332649e+01 2.04 1.386505231e+01 1.386505231e+01 2.06 1.223763961e+01 1.223763961e+01 2.08 1.074037689e+01 1.074037689e+01 2.10 9.363106718e+00 9.363106718e+00 2.12 8.096223616e+00 8.096223616e+00 2.14 6.930706826e+00 6.930706826e+00 2.16 5.858178335e+00 5.858178335e+00 2.18 4.870969224e+00 4.870969224e+00 2.20 3.962168929e+00 3.962168929e+00 2.22 3.125634660e+00 3.125634660e+00 2.24 2.355952750e+00 2.355952750e+00 2.26 1.648360105e+00 1.648360105e+00 2.28 9.986431159e-01 9.986431159e-01 2.30 4.030314201e-01 4.030314201e-01 2.32 -1.419014409e-01 -1.419014409e-01 2.34 -6.392767538e-01 -6.392767538e-01 2.36 -1.092041772e+00 -1.092041772e+00 2.38 -1.503136442e+00 -1.503136442e+00 2.40 -1.875385403e+00 -1.875385403e+00 2.42 -2.211516484e+00 -2.211516484e+00 2.44 -2.514165123e+00 -2.514165123e+00 2.46 -2.785867473e+00 -2.785867473e+00 2.48 -3.029050112e+00 -3.029050112e+00 2.50 -3.245960687e+00 -3.245960687e+00 2.52 -3.438938418e+00 -3.438938418e+00 2.54 -3.610989622e+00 -3.610989622e+00 2.56 -3.763543672e+00 -3.763543672e+00 2.58 -3.897877577e+00 -3.897877577e+00 2.60 -4.015207938e+00 -4.015207938e+00 2.62 -4.116664403e+00 -4.116664403e+00 2.64 -4.203273781e+00 -4.203273781e+00 2.66 -4.275953825e+00 -4.275953825e+00 2.68 -4.335514746e+00 -4.335514746e+00 2.70 -4.382666887e+00 -4.382666887e+00 2.72 -4.418033356e+00 -4.418033356e+00 2.74 -4.442165915e+00 -4.442165915e+00 2.76 -4.455561999e+00 -4.455561999e+00 2.78 -4.458681007e+00 -4.458681007e+00 2.80 -4.451959134e+00 -4.451959134e+00 2.82 -4.435823199e+00 -4.435823199e+00 2.84 -4.410704845e+00 -4.410704845e+00 2.86 -4.377056413e+00 -4.377056413e+00 2.88 -4.335369020e+00 -4.335369020e+00 2.90 -4.286191895e+00 -4.286191895e+00 2.92 -4.230150196e+00 -4.230150196e+00 2.94 -4.167956939e+00 -4.167956939e+00 2.96 -4.100414067e+00 -4.100414067e+00 2.98 -4.028398783e+00 -4.028398783e+00 3.00 -3.952834258e+00 -3.952834258e+00 3.02 -3.874647939e+00 -3.874647939e+00 3.04 -3.794724320e+00 -3.794724320e+00 3.06 -3.713880214e+00 -3.713880214e+00 3.08 -3.632972452e+00 -3.632972452e+00 3.10 -3.552420443e+00 -3.552420443e+00 3.12 -3.472511926e+00 -3.472511926e+00 3.14 -3.393645371e+00 -3.393645371e+00 3.16 -3.316029182e+00 -3.316029182e+00 3.18 -3.239667824e+00 -3.239667824e+00 3.20 -3.164431004e+00 -3.164431004e+00 3.22 -3.090110150e+00 -3.090110150e+00 3.24 -3.016471636e+00 -3.016471636e+00 3.26 -2.943291961e+00 -2.943291961e+00 3.28 -2.870365259e+00 -2.870365259e+00 3.30 -2.797518258e+00 -2.797518258e+00 3.32 -2.724621353e+00 -2.724621353e+00 3.34 -2.651595913e+00 -2.651595913e+00 3.36 -2.578418640e+00 -2.578418640e+00 3.38 -2.505123333e+00 -2.505123333e+00 3.40 -2.431800086e+00 -2.431800086e+00 3.42 -2.358591777e+00 -2.358591777e+00 3.44 -2.285687745e+00 -2.285687745e+00 3.46 -2.213314731e+00 -2.213314731e+00 3.48 -2.141725463e+00 -2.141725463e+00 3.50 -2.071185556e+00 -2.071185556e+00 3.52 -2.001959734e+00 -2.001959734e+00 3.54 -1.934298456e+00 -1.934298456e+00 3.56 -1.868426086e+00 -1.868426086e+00 3.58 -1.804531474e+00 -1.804531474e+00 3.60 -1.742761564e+00 -1.742761564e+00 3.62 -1.683218201e+00 -1.683218201e+00 3.64 -1.625957990e+00 -1.625957990e+00 3.66 -1.570994737e+00 -1.570994737e+00 3.68 -1.518303851e+00 -1.518303851e+00 3.70 -1.467828019e+00 -1.467828019e+00 3.72 -1.419483500e+00 -1.419483500e+00 3.74 -1.373166499e+00 -1.373166499e+00 3.76 -1.328759199e+00 -1.328759199e+00 3.78 -1.286135175e+00 -1.286135175e+00 3.80 -1.245164038e+00 -1.245164038e+00 3.82 -1.205715234e+00 -1.205715234e+00 3.84 -1.167661012e+00 -1.167661012e+00 3.86 -1.130878621e+00 -1.130878621e+00 3.88 -1.095251841e+00 -1.095251841e+00 3.90 -1.060671952e+00 -1.060671952e+00 3.92 -1.027038291e+00 -1.027038291e+00 3.94 -9.942585592e-01 -9.942585592e-01 3.96 -9.622489671e-01 -9.622489671e-01 3.98 -9.309344264e-01 -9.309344264e-01 4.00 -9.002488385e-01 -9.002488385e-01 4.02 -8.701355790e-01 -8.701355790e-01 4.04 -8.405481965e-01 -8.405481965e-01 4.06 -8.114512925e-01 -8.114512925e-01 4.08 -7.828214798e-01 -7.828214798e-01 4.10 -7.546482537e-01 -7.546482537e-01 4.12 -7.269345883e-01 -7.269345883e-01 4.14 -6.996969498e-01 -6.996969498e-01 4.16 -6.729646136e-01 -6.729646136e-01 4.18 -6.467780631e-01 -6.467780631e-01 4.20 -6.211864771e-01 -6.211864771e-01 4.22 -5.962444203e-01 -5.962444203e-01 4.24 -5.720079990e-01 -5.720079990e-01 4.26 -5.485308500e-01 -5.485308500e-01 4.28 -5.258603594e-01 -5.258603594e-01 4.30 -5.040344736e-01 -5.040344736e-01 4.32 -4.830793522e-01 -4.830793522e-01 4.34 -4.630079811e-01 -4.630079811e-01 4.36 -4.438197268e-01 -4.438197268e-01 4.38 -4.255007148e-01 -4.255007148e-01 4.40 -4.080248586e-01 -4.080248586e-01 4.42 -3.913553486e-01 -3.913553486e-01 4.44 -3.754464246e-01 -3.754464246e-01 4.46 -3.602452828e-01 -3.602452828e-01 4.48 -3.456940008e-01 -3.456940008e-01 4.50 -3.317313925e-01 -3.317313925e-01 4.52 -3.182947360e-01 -3.182947360e-01 4.54 -3.053213423e-01 -3.053213423e-01 4.56 -2.927499547e-01 -2.927499547e-01 4.58 -2.805219885e-01 -2.805219885e-01 4.60 -2.685826339e-01 -2.685826339e-01 4.62 -2.568818510e-01 -2.568818510e-01 4.64 -2.453752844e-01 -2.453752844e-01 4.66 -2.340251163e-01 -2.340251163e-01 4.68 -2.228008608e-01 -2.228008608e-01 4.70 -2.116800828e-01 -2.116800828e-01 4.72 -2.006490031e-01 -2.006490031e-01 4.74 -1.897029306e-01 -1.897029306e-01 4.76 -1.788464511e-01 -1.788464511e-01 4.78 -1.680932967e-01 -1.680932967e-01 4.80 -1.574658318e-01 -1.574658318e-01 4.82 -1.469941273e-01 -1.469941273e-01 4.84 -1.367145983e-01 -1.367145983e-01 4.86 -1.266682910e-01 -1.266682910e-01 4.88 -1.168988857e-01 -1.168988857e-01 4.90 -1.074505644e-01 -1.074505644e-01 4.92 -9.836589535e-02 -9.836589535e-02 4.94 -8.968389008e-02 -8.968389008e-02 4.96 -8.143836360e-02 -8.143836360e-02 4.98 -7.365669090e-02 -7.365669090e-02 5.00 -6.635900403e-02 -6.635900403e-02 5.02 -5.955782851e-02 -5.955782851e-02 5.04 -5.325812048e-02 -5.325812048e-02 5.06 -4.745764106e-02 -4.745764106e-02 5.08 -4.214759016e-02 -4.214759016e-02 5.10 -3.731342386e-02 -3.731342386e-02 5.12 -3.293579472e-02 -3.293579472e-02 5.14 -2.899152569e-02 -2.899152569e-02 5.16 -2.545451764e-02 -2.545451764e-02 5.18 -2.229634567e-02 -2.229634567e-02 5.20 -1.948846907e-02 -1.948846907e-02 5.22 -1.700210171e-02 -1.700210171e-02 5.24 -1.480810725e-02 -1.480810725e-02 5.26 -1.287822475e-02 -1.287822475e-02 5.28 -1.118550515e-02 -1.118550515e-02 5.30 -9.704600459e-03 -9.704600459e-03 5.32 -8.411950652e-03 -8.411950652e-03 5.34 -7.285884212e-03 -7.285884212e-03 5.36 -6.306648025e-03 -6.306648025e-03 5.38 -5.456381664e-03 -5.456381664e-03 5.40 -4.719049808e-03 -4.719049808e-03 5.42 -4.080344893e-03 -4.080344893e-03 5.44 -3.527570302e-03 -3.527570302e-03 5.46 -3.049512500e-03 -3.049512500e-03 5.48 -2.636308804e-03 -2.636308804e-03 5.50 -2.279315824e-03 -2.279315824e-03 5.52 -1.970982245e-03 -1.970982245e-03 5.54 -1.704728457e-03 -1.704728457e-03 5.56 -1.474834594e-03 -1.474834594e-03 5.58 -1.276337814e-03 -1.276337814e-03 5.60 -1.104939126e-03 -1.104939126e-03 5.62 -9.569196482e-04 -9.569196482e-04 5.64 -8.290659268e-04 -8.290659268e-04 5.66 -7.186037632e-04 -7.186037632e-04 5.68 -6.231398968e-04 -6.231398968e-04 5.70 -5.406108463e-04 -5.406108463e-04 5.72 -4.692382019e-04 -4.692382019e-04 5.74 -4.074896808e-04 -4.074896808e-04 5.76 -3.540452950e-04 -3.540452950e-04 5.78 -3.077680269e-04 -3.077680269e-04 5.80 -2.676784601e-04 -2.676784601e-04 5.82 -2.329328663e-04 -2.329328663e-04 5.84 -2.028043008e-04 -2.028043008e-04 5.86 -1.766663118e-04 -1.766663118e-04 5.88 -1.539789129e-04 -1.539789129e-04 5.90 -1.342765121e-04 -1.342765121e-04 5.92 -1.171575298e-04 -1.171575298e-04 5.94 -1.022754728e-04 -1.022754728e-04 5.96 -8.933126137e-05 -8.933126137e-05 5.98 -7.806663484e-05 -7.806663484e-05 6.00 -6.825848381e-05 -6.825848381e-05