[ 0,1, -2*a/sqrt(3),0,c/2, -1.496, 0.000, 0.965, 0.000,-0.937, 0.000, 0.965, 0.000,-1.066 ], [ 1,0, 2*a/sqrt(3),0,-c/2, -1.496, 0.000, 0.965, 0.000,-0.937, 0.000, 0.965, 0.000,-1.066 ], [ 0,0, 0,0,c, 0.080, 0.000, 0.000, 0.000, 0.080, 0.000, 0.000, 0.000,-3.897 ], [ 1,1, 0,0,c, 0.080, 0.000, 0.000, 0.000, 0.080, 0.000, 0.000, 0.000,-3.897 ], [ 0,1, System.axial([5*a/(2*sqrt(3)),a/2,c/2], 0.488,-0.011) ], [ 1,0, System.axial([-5*a/(2*sqrt(3)),-a/2,-c/2], 0.488,-0.011) ], [ 0,0, System.axial([ a*sqrt(3),0,0], 1.213, 0.318) ], [ 1,1, System.axial([ a*sqrt(3),0,0], 1.213, 0.318) ], [ 0,0, System.axial([-a*sqrt(3),0,0], 1.213, 0.318) ], [ 1,1, System.axial([-a*sqrt(3),0,0], 1.213, 0.318) ], [ 0,0, System.axial([0,a,c], 1.048,-0.133) ], [ 1,1, System.axial([0,a,c], 1.048,-0.133) ], [ 0,0, System.axial([0,2*a,0], -0.344, 0.040) ], [ 1,1, System.axial([0,2*a,0], -0.344, 0.040) ], ] System.write(cell,atoms,sites,bonds,"hcp")
cell=[ a,b, 0, a, 0,c, 0,b,c ] atoms=[ [ "In", m ], ] sites=[ [ 0,0,0, 0 ], ] bonds=[ [ 0,0, System.axial([ a, 0, c], 12.316,-2.064) ], [ 0,0, System.axial([ a, b, 0], 16.763,-2.759) ], [ 0,0, System.axial([2*a, 0, 0], 1.278, 0.929) ], [ 0,0, System.axial([ 0, 0,2*c], 1.695, 0.294) ], [ 0,0, System.axial([2*a, b, c], -0.452, 0.002) ], [ 0,0, System.axial([ a, b,2*c], -0.601, 0.268) ], [ 0,0, System.axial([2*a, 0,2*c], -0.423,-0.216) ], [ 0,0, System.axial([2*a,2*b, 0], -1.130, 0.033) ], [ 0,0, System.axial([3*a,1*b, 0], 0.167, 0.000) ], [ 0,0, System.axial([ a, 0,3*c], -0.026, 0.000) ], [ 0,0, System.axial([3*a, 0,1*c], 0.225, 0.000) ], ] System.write(cell,atoms,sites,bonds,"fct")
0,a,0, 0,0,c, ] atoms=[ [ "A", m ], [ "B", m ], ] sites=[ [ 0,0,0, 0 ], [ a/sqrt(3),0,c/2, 1 ], ] bonds=[ [ 0,1, System.axial([ a/sqrt(3),0, c/2], 10.483,-0.309) ], [ 1,0, System.axial([-a/sqrt(3),0,-c/2], 10.483,-0.309) ], [ 0,0, System.axial([ 0, a,0], 10.099,-0.292) ], [ 1,1, System.axial([ 0, a,0], 10.099,-0.292) ], [ 0,1, System.axial([-2*a/sqrt(3),0, c/2], -0.222,-0.246) ], [ 1,0, System.axial([ 2*a/sqrt(3),0,-c/2], -0.222,-0.246) ], [ 0,0, System.axial([ 0,0,c], 0.305,-0.490) ], [ 1,1, System.axial([ 0,0,c], 0.305,-0.490) ], [ 0,1, System.axial([ 5*a/(2*sqrt(3)), a/2, c/2], 0.748, 0.013) ], [ 1,0, System.axial([-5*a/(2*sqrt(3)),-a/2,-c/2], 0.748, 0.013) ], [ 0,0, System.axial([ a*sqrt(3),0,0], 0.529, 0.091) ],