# Tersoff parameters for various elements and mixtures # multiple entries can be added to this file, LAMMPS reads the # ones it needs these entries are in LAMMPS metal units: # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms # other quantities are unitless # format of a single entry (one or more lines): # element 1, element 2, element 3, # m, gamma, lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A Mo Mo Mo 1 0.00124572 2.09348 7.58380771 0.28598932 -0.18562373 1 1 0.4918849 13.49671513 3.54 1.14 4.22401184 24161.62003453 Mo Mo Se 1 2.4601945519011688 -0.07212445306260577 0.18838440700506406 0.1931846565819587 0.16450986645032706 0 0 0 0 3.893549466421566 0.2086946415456074 0 0 Mo Se Mo 1 0.00124572 2.09348 7.58380771 0.28598932 -0.18562373 0 0 0 0 3.54 1.14 0 0 Mo Se Se 1 2.4601945519011688 -0.07212445306260577 0.18838440700506406 0.1931846565819587 0.16450986645032706 0.12092351028188712 1.2959184002802147 0.8425278915858251 915.4373160385737 3.893549466421566 0.2086946415456074 3.402041919140107 4946.389070267034 Se Mo Mo 1 2.4601945519011688 -0.07212445306260577 0.18838440700506406 0.1931846565819587 0.16450986645032706 0.12092351028188712 1.2959184002802147 0.8425278915858251 915.4373160385737 3.893549466421566 0.2086946415456074 3.402041919140107 4946.389070267034 Se Mo Se 1 0.08703989224801068 0 6.58170745665754 1.23257111910078 0.00920007745843536 0 0 0 0 3.8969407435027086 0.17841667952196194 0 0 Se Se Mo 1 2.4601945519011688 -0.07212445306260577 0.18838440700506406 0.1931846565819587 0.16450986645032706 0 0 0 0 3.893549466421566 0.2086946415456074 0 0 Se Se Se 1 0.08703989224801068 0 6.58170745665754 1.23257111910078 0.00920007745843536 1 1 1.3485921938893815 128.79544344322315 3.8969407435027086 0.17841667952196194 3.3276163825484506 3599.4915594402437