Save in an array lines after the appearance of a text pattern

2024 7월 31
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업데이트 시간: 2024 7월 31
조회 수: 7 (30일)

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Dear all
I was wondering which could be a good method to store in an array the first two columns of the first two lines after the line "Cell (Angstrom):" in the attached file.

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Stephen23
Stephen23 2024년 7월 31일
편집: Stephen23 2024년 7월 31일
Ran in:

0 개 추천

Ran in:
txt = fileread('File.txt')
txt =
'========================================================================================== Information: Exchange parameters generated by TB2J 0.4.4.1 Generation time: 21/04/22 09:02:48 Input from non-collinear Wannier90 data. Tight binding data from ./. Prefix of wannier function files:wannier90. Warning: Please check if the noise level of Wannier function Hamiltonian to make sure it is much smaller than the exchange values. The DMI component parallel to the spin orientation, the Jani which has the component of that orientation should be disregarded e.g. if the spins are along z, the xz, yz, zz, zx, zy components and the z component of DMI. If you need these component, try to do three calculations with spin along x, y, z, or use structure with z rotated to x, y and z. And then use TB2J_merge.py to get the full set of parameters. ========================================================================================== Cell (Angstrom): 6.930 0.000 0.000 -3.465 6.002 0.000 0.000 0.000 25.000 ========================================================================================== Atoms: (Note: charge and magmoms only count the wannier functions.) Atom_number x y z w_charge M(x) M(y) M(z) I1 -1.1550 2.0005 7.6741 5.5220 0.0004 0.0000 -0.2007 I2 2.3100 4.0010 7.6741 5.5220 -0.0002 0.0004 -0.2007 I3 2.3100 0.0000 7.6741 5.5220 -0.0002 -0.0004 -0.2007 I4 1.1550 2.0005 10.7749 5.5208 -0.0013 0.0000 -0.1980 I5 4.6200 0.0000 10.7749 5.5208 0.0007 -0.0011 -0.1980 I6 -2.3100 4.0010 10.7749 5.5208 0.0006 0.0011 -0.1980 I7 -1.1550 2.0005 14.2242 5.5208 -0.0013 0.0000 -0.1983 I8 2.3100 4.0010 14.2242 5.5208 0.0006 -0.0011 -0.1983 I9 2.3100 0.0000 14.2242 5.5208 0.0006 0.0011 -0.1983 I10 1.1550 2.0005 17.3254 5.5221 0.0004 0.0000 -0.2005 I11 4.6200 0.0000 17.3254 5.5221 -0.0002 0.0004 -0.2005 I12 -2.3100 4.0010 17.3254 5.5221 -0.0002 -0.0004 -0.2005 Cr1 -0.0000 4.0010 9.2259 4.4201 -0.0002 -0.0003 3.6373 Cr2 0.0000 0.0000 9.2259 4.4200 -0.0003 -0.0002 3.6373 Cr3 -0.0000 4.0010 15.7746 4.4200 -0.0002 -0.0001 3.6375 Cr4 0.0000 0.0000 15.7746 4.4200 -0.0000 -0.0003 3.6375 Total 83.9370 -0.0007 -0.0008 12.1567 ========================================================================================== Exchange: i j R J_iso(meV) vector distance(A) ---------------------------------------------------------------------------------------- Cr1 Cr2 ( 0, 0, 0) 2.6832 ( 0.000, -4.001, 0.000) 4.001 J_iso: 2.6832 [Testing!] Jprime: 10.082, B: -4.132 [Testing!] DMI: ( 0.0635 0.0000 -0.0306) [Testing!]J_ani: [[-1.401 0. 0.396] [ 0. -0.327 0. ] [ 0.396 0. -8.263]] ---------------------------------------------------------------------------------------- Cr2 Cr1 ( 0, 0, 0) 2.6832 (-0.000, 4.001, 0.000) 4.001 J_iso: 2.6832 [Testing!] Jprime: 10.082, B: -4.132 [Testing!] DMI: (-0.0635 -0.0000 0.0306) [Testing!]J_ani: [[-1.401 0. 0.396] [ 0. -0.327 0. ] [ 0.396 0. -8.263]] ---------------------------------------------------------------------------------------- Cr3 Cr4 ( 0, 0, 0) 2.6773 ( 0.000, -4.001, 0.000) 4.001 J_iso: 2.6773 [Testing!] Jprime: 10.069, B: -4.128 [Testing!] DMI: (-0.0638 -0.0002 0.0252) [Testing!]J_ani: [[-1.401 0. 0.396] [ 0. -0.327 0. ] [ 0.396 0. -8.255]] ---------------------------------------------------------------------------------------- Cr4 Cr3 ( 0, 0, 0) 2.6773 (-0.000, 4.001, 0.000) 4.001 J_iso: 2.6773 [Testing!] Jprime: 10.069, B: -4.128 [Testing!] DMI: ( 0.0638 0.0002 -0.0252) [Testing!]J_ani: [[-1.401 0. 0.396] [ 0. -0.327 0. ] [ 0.396 0. -8.255]] ---------------------------------------------------------------------------------------- Cr2 Cr1 ( -1, -1, 0) 2.6834 (-3.465, -2.001, 0.000) 4.001 J_iso: 2.6834 [Testing!] Jprime: 10.082, B: -4.132 [Testing!] DMI: ( 0.0316 -0.0550 0.0306) [Testing!]J_ani: [[-0.595 0.465 -0.198] [ 0.465 -1.133 0.343] [-0.198 0.343 -8.263]] ---------------------------------------------------------------------------------------- Cr4 Cr3 ( -1, -1, 0) 2.6773 (-3.465, -2.001, 0.000) 4.001 J_iso: 2.6773 [Testing!] Jprime: 10.069, B: -4.128 [Testing!] DMI: (-0.0316 0.0552 -0.0252) [Testing!]J_ani: [[-0.595 0.465 -0.198] [ 0.465 -1.132 0.343] [-0.198 0.343 -8.255]] ---------------------------------------------------------------------------------------- Cr1 Cr2 ( 1, 1, 0) 2.6834 ( 3.465, 2.001, 0.000) 4.001 J_iso: 2.6834 [Testing!] Jprime: 10.082, B: -4.132 [Testing!] DMI: (-0.0316 0.0550 -0.0306) [Testing!]J_ani: [[-0.595 0.465 -0.198] [ 0.465 -1.133 0.343] [-0.198 0.343 -8.263]] ---------------------------------------------------------------------------------------- Cr3 Cr4 ( 1, 1, 0) 2.6773 ( 3.465, 2.001, 0.000) 4.001 J_iso: 2.6773 [Testing!] Jprime: 10.069, B: -4.128 [Testing!] DMI: ( 0.0316 -0.0552 0.0252) [Testing!]J_ani: [[-0.595 0.465 -0.198] [ 0.465 -1.132 0.343] [-0.198 0.343 -8.255]] ---------------------------------------------------------------------------------------- Cr2 Cr1 ( 0, -1, 0) 2.6832 ( 3.465, -2.001, 0.000) 4.001 J_iso: 2.6832 [Testing!] Jprime: 10.083, B: -4.132 [Testing!] DMI: ( 0.0315 0.0548 0.0306) [Testing!]J_ani: [[-0.595 -0.465 -0.197] [-0.465 -1.133 -0.342] [-0.197 -0.342 -8.263]] ---------------------------------------------------------------------------------------- Cr4 Cr3 ( 0, -1, 0) 2.6772 ( 3.465, -2.001, 0.000) 4.001 J_iso: 2.6772 [Testing!] Jprime: 10.069, B: -4.128 [Testing!] DMI: (-0.0316 -0.0550 -0.0251) [Testing!]J_ani: [[-0.595 -0.465 -0.197] [-0.465 -1.132 -0.342] [-0.197 -0.342 -8.256]] ---------------------------------------------------------------------------------------- Cr1 Cr2 ( 0, 1, 0) 2.6832 (-3.465, 2.001, 0.000) 4.001 J_iso: 2.6832 [Testing!] Jprime: 10.083, B: -4.132 [Testing!] DMI: (-0.0315 -0.0548 -0.0306) [Testing!]J_ani: [[-0.595 -0.465 -0.197] [-0.465 -1.133 -0.342] [-0.197 -0.342 -8.263]] ---------------------------------------------------------------------------------------- Cr3 Cr4 ( 0, 1, 0) 2.6772 (-3.465, 2.001, 0.000) 4.001 J_iso: 2.6772 [Testing!] Jprime: 10.069, B: -4.128 [Testing!] DMI: ( 0.0316 0.0550 0.0251) [Testing!]J_ani: [[-0.595 -0.465 -0.197] [-0.465 -1.132 -0.342] [-0.197 -0.342 -8.256]] ---------------------------------------------------------------------------------------- Cr1 Cr3 ( 0, 0, 0) 0.2393 ( 0.000, 0.000, 6.549) 6.549 J_iso: 0.2393 [Testing!] Jprime: 0.825, B: -0.328 [Testing!] DMI: ( 0.0000 0.0000 0.0732) [Testing!]J_ani: [[-0.07 -0. 0. ] [-0. -0.07 0. ] [ 0. 0. -0.656]] ---------------------------------------------------------------------------------------- Cr2 Cr4 ( 0, 0, 0) 0.2393 ( 0.000, 0.000, 6.549) 6.549 J_iso: 0.2393 [Testing!] Jprime: 0.825, B: -0.328 [Testing!] DMI: (-0.0000 -0.0000 -0.0732) [Testing!]J_ani: [[-0.07 -0. 0. ] [-0. -0.07 0. ] [ 0. 0. -0.656]] ---------------------------------------------------------------------------------------- Cr3 Cr1 ( 0, 0, 0) 0.2393 ( 0.000, 0.000, -6.549) 6.549 J_iso: 0.2393 [Testing!] Jprime: 0.825, B: -0.328 [Testing!] DMI: (-0.0000 -0.0000 -0.0732) [Testing!]J_ani: [[-0.07 -0. 0. ] [-0. -0.07 0. ] [ 0. 0. -0.656]] ---------------------------------------------------------------------------------------- Cr4 Cr2 ( 0, 0, 0) 0.2393 ( 0.000, 0.000, -6.549) 6.549 J_iso: 0.2393 [Testing!] Jprime: 0.825, B: -0.328 [Testing!] DMI: ( 0.0000 0.0000 0.0732) [Testing!]J_ani: [[-0.07 -0. 0. ] [-0. -0.07 0. ] [ 0. 0. -0.656]] ---------------------------------------------------------------------------------------- Cr1 Cr1 ( -1, -1, 0) 0.7181 (-3.465, -6.002, 0.000) 6.930 J_iso: 0.7181 [Testing!] Jprime: 2.387, B: -0.894 [Testing!] DMI: ( 0.0448 0.0746 0.0808) [Testing!]J_ani: [[-0.088 -0.059 -0.098] [-0.059 -0.148 -0.2 ] [-0.098 -0.2 -1.787]] ---------------------------------------------------------------------------------------- Cr2 Cr2 ( -1, -1, 0) 0.7181 (-3.465, -6.002, 0.000) 6.930 J_iso: 0.7181 [Testing!] Jprime: 2.387, B: -0.894 [Testing!] DMI: (-0.0422 -0.0761 -0.0808) [Testing!]J_ani: [[-0.082 -0.055 -0.124] [-0.055 -0.154 -0.185] [-0.124 -0.185 -1.787]] ---------------------------------------------------------------------------------------- Cr3 Cr3 ( -1, -1, 0) 0.7184 (-3.465, -6.002, 0.000) 6.930 J_iso: 0.7184 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: ( 0.0423 0.0761 0.0808) [Testing!]J_ani: [[-0.082 -0.055 -0.124] [-0.055 -0.154 -0.185] [-0.124 -0.185 -1.787]] ---------------------------------------------------------------------------------------- Cr4 Cr4 ( -1, -1, 0) 0.7184 (-3.465, -6.002, 0.000) 6.930 J_iso: 0.7184 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: (-0.0448 -0.0747 -0.0808) [Testing!]J_ani: [[-0.088 -0.059 -0.098] [-0.059 -0.148 -0.2 ] [-0.098 -0.2 -1.787]] ---------------------------------------------------------------------------------------- Cr1 Cr1 ( 1, 1, 0) 0.7181 ( 3.465, 6.002, 0.000) 6.930 J_iso: 0.7181 [Testing!] Jprime: 2.387, B: -0.894 [Testing!] DMI: (-0.0448 -0.0746 -0.0808) [Testing!]J_ani: [[-0.088 -0.059 -0.098] [-0.059 -0.148 -0.2 ] [-0.098 -0.2 -1.787]] ---------------------------------------------------------------------------------------- Cr2 Cr2 ( 1, 1, 0) 0.7181 ( 3.465, 6.002, 0.000) 6.930 J_iso: 0.7181 [Testing!] Jprime: 2.387, B: -0.894 [Testing!] DMI: ( 0.0422 0.0761 0.0808) [Testing!]J_ani: [[-0.082 -0.055 -0.124] [-0.055 -0.154 -0.185] [-0.124 -0.185 -1.787]] ---------------------------------------------------------------------------------------- Cr3 Cr3 ( 1, 1, 0) 0.7184 ( 3.465, 6.002, 0.000) 6.930 J_iso: 0.7184 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: (-0.0423 -0.0761 -0.0808) [Testing!]J_ani: [[-0.082 -0.055 -0.124] [-0.055 -0.154 -0.185] [-0.124 -0.185 -1.787]] ---------------------------------------------------------------------------------------- Cr4 Cr4 ( 1, 1, 0) 0.7184 ( 3.465, 6.002, 0.000) 6.930 J_iso: 0.7184 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: ( 0.0448 0.0747 0.0808) [Testing!]J_ani: [[-0.088 -0.059 -0.098] [-0.059 -0.148 -0.2 ] [-0.098 -0.2 -1.787]] ---------------------------------------------------------------------------------------- Cr1 Cr1 ( 0, -1, 0) 0.7181 ( 3.465, -6.002, 0.000) 6.930 J_iso: 0.7181 [Testing!] Jprime: 2.387, B: -0.894 [Testing!] DMI: (-0.0422 0.0761 -0.0808) [Testing!]J_ani: [[-0.082 0.055 -0.124] [ 0.055 -0.154 0.185] [-0.124 0.185 -1.787]] ---------------------------------------------------------------------------------------- Cr2 Cr2 ( 0, -1, 0) 0.7180 ( 3.465, -6.002, 0.000) 6.930 J_iso: 0.7180 [Testing!] Jprime: 2.387, B: -0.893 [Testing!] DMI: ( 0.0448 -0.0746 0.0808) [Testing!]J_ani: [[-0.088 0.059 -0.098] [ 0.059 -0.148 0.2 ] [-0.098 0.2 -1.787]] ---------------------------------------------------------------------------------------- Cr3 Cr3 ( 0, -1, 0) 0.7184 ( 3.465, -6.002, 0.000) 6.930 J_iso: 0.7184 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: (-0.0447 0.0747 -0.0808) [Testing!]J_ani: [[-0.088 0.059 -0.098] [ 0.059 -0.148 0.2 ] [-0.098 0.2 -1.787]] ---------------------------------------------------------------------------------------- Cr4 Cr4 ( 0, -1, 0) 0.7183 ( 3.465, -6.002, 0.000) 6.930 J_iso: 0.7183 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: ( 0.0423 -0.0761 0.0808) [Testing!]J_ani: [[-0.082 0.055 -0.124] [ 0.055 -0.154 0.185] [-0.124 0.185 -1.787]] ---------------------------------------------------------------------------------------- Cr1 Cr1 ( 0, 1, 0) 0.7181 (-3.465, 6.002, 0.000) 6.930 J_iso: 0.7181 [Testing!] Jprime: 2.387, B: -0.894 [Testing!] DMI: ( 0.0422 -0.0761 0.0808) [Testing!]J_ani: [[-0.082 0.055 -0.124] [ 0.055 -0.154 0.185] [-0.124 0.185 -1.787]] ---------------------------------------------------------------------------------------- Cr2 Cr2 ( 0, 1, 0) 0.7180 (-3.465, 6.002, 0.000) 6.930 J_iso: 0.7180 [Testing!] Jprime: 2.387, B: -0.893 [Testing!] DMI: (-0.0448 0.0746 -0.0808) [Testing!]J_ani: [[-0.088 0.059 -0.098] [ 0.059 -0.148 0.2 ] [-0.098 0.2 -1.787]] ---------------------------------------------------------------------------------------- Cr3 Cr3 ( 0, 1, 0) 0.7184 (-3.465, 6.002, 0.000) 6.930 J_iso: 0.7184 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: ( 0.0447 -0.0747 0.0808) [Testing!]J_ani: [[-0.088 0.059 -0.098] [ 0.059 -0.148 0.2 ] [-0.098 0.2 -1.787]] ---------------------------------------------------------------------------------------- Cr4 Cr4 ( 0, 1, 0) 0.7183 (-3.465, 6.002, 0.000) 6.930 J_iso: 0.7183 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: (-0.0423 0.0761 -0.0808) [Testing!]J_ani: [[-0.082 0.055 -0.124] [ 0.055 -0.154 0.185] [-0.124 0.185 -1.787]] ---------------------------------------------------------------------------------------- Cr1 Cr1 ( -1, 0, 0) 0.7181 (-6.930, 0.000, 0.000) 6.930 J_iso: 0.7181 [Testing!] Jprime: 2.387, B: -0.894 [Testing!] DMI: ( 0.0870 -0.0015 -0.0808) [Testing!]J_ani: [[-0.184 0.003 0.222] [ 0.003 -0.052 0.015] [ 0.222 0.015 -1.787]] ---------------------------------------------------------------------------------------- Cr2 Cr2 ( -1, 0, 0) 0.7180 (-6.930, 0.000, 0.000) 6.930 J_iso: 0.7180 [Testing!] Jprime: 2.387, B: -0.893 [Testing!] DMI: (-0.0870 -0.0015 0.0808) [Testing!]J_ani: [[-0.184 -0.003 0.223] [-0.003 -0.052 -0.015] [ 0.223 -0.015 -1.787]] ---------------------------------------------------------------------------------------- Cr3 Cr3 ( -1, 0, 0) 0.7184 (-6.930, 0.000, 0.000) 6.930 J_iso: 0.7184 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: ( 0.0871 0.0014 -0.0808) [Testing!]J_ani: [[-0.184 -0.004 0.222] [-0.004 -0.052 -0.015] [ 0.222 -0.015 -1.787]] ---------------------------------------------------------------------------------------- Cr4 Cr4 ( -1, 0, 0) 0.7183 (-6.930, 0.000, 0.000) 6.930 J_iso: 0.7183 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: (-0.0870 0.0014 0.0808) [Testing!]J_ani: [[-0.184 0.003 0.222] [ 0.003 -0.052 0.015] [ 0.222 0.015 -1.787]] ---------------------------------------------------------------------------------------- Cr1 Cr1 ( 1, 0, 0) 0.7181 ( 6.930, 0.000, 0.000) 6.930 J_iso: 0.7181 [Testing!] Jprime: 2.387, B: -0.894 [Testing!] DMI: (-0.0870 0.0015 0.0808) [Testing!]J_ani: [[-0.184 0.003 0.222] [ 0.003 -0.052 0.015] [ 0.222 0.015 -1.787]] ---------------------------------------------------------------------------------------- Cr2 Cr2 ( 1, 0, 0) 0.7180 ( 6.930, 0.000, 0.000) 6.930 J_iso: 0.7180 [Testing!] Jprime: 2.387, B: -0.893 [Testing!] DMI: ( 0.0870 0.0015 -0.0808) [Testing!]J_ani: [[-0.184 -0.003 0.223] [-0.003 -0.052 -0.015] [ 0.223 -0.015 -1.787]] ---------------------------------------------------------------------------------------- Cr3 Cr3 ( 1, 0, 0) 0.7184 ( 6.930, 0.000, 0.000) 6.930 J_iso: 0.7184 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: (-0.0871 -0.0014 0.0808) [Testing!]J_ani: [[-0.184 -0.004 0.222] [-0.004 -0.052 -0.015] [ 0.222 -0.015 -1.787]] ---------------------------------------------------------------------------------------- Cr4 Cr4 ( 1, 0, 0) 0.7183 ( 6.930, 0.000, 0.000) 6.930 J_iso: 0.7183 [Testing!] Jprime: 2.388, B: -0.894 [Testing!] DMI: ( 0.0870 -0.0014 -0.0808) [Testing!]J_ani: [[-0.184 0.003 0.222] [ 0.003 -0.052 0.015] [ 0.222 0.015 -1.787]] ---------------------------------------------------------------------------------------- Cr1 Cr4 ( 0, 0, 0) 0.1034 ( 0.000, -4.001, 6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: (-0.0001 -0.0000 -0.0001) [Testing!]J_ani: [[-0.027 -0. 0.024] [-0. -0.054 -0.076] [ 0.024 -0.076 -0.44 ]] ---------------------------------------------------------------------------------------- Cr2 Cr3 ( 0, 0, 0) 0.1034 (-0.000, 4.001, 6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: ( 0.0001 -0.0001 0.0001) [Testing!]J_ani: [[-0.027 0. 0.024] [ 0. -0.054 0.076] [ 0.024 0.076 -0.44 ]] ---------------------------------------------------------------------------------------- Cr3 Cr2 ( 0, 0, 0) 0.1034 ( 0.000, -4.001, -6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: (-0.0001 0.0001 -0.0001) [Testing!]J_ani: [[-0.027 0. 0.024] [ 0. -0.054 0.076] [ 0.024 0.076 -0.44 ]] ---------------------------------------------------------------------------------------- Cr4 Cr1 ( 0, 0, 0) 0.1034 (-0.000, 4.001, -6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: ( 0.0001 0.0000 0.0001) [Testing!]J_ani: [[-0.027 -0. 0.024] [-0. -0.054 -0.076] [ 0.024 -0.076 -0.44 ]] ---------------------------------------------------------------------------------------- Cr2 Cr3 ( -1, -1, 0) 0.1034 (-3.465, -2.001, 6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: ( 0.0000 0.0001 0.0001) [Testing!]J_ani: [[-0.047 -0.012 -0.078] [-0.012 -0.034 -0.017] [-0.078 -0.017 -0.44 ]] ---------------------------------------------------------------------------------------- Cr4 Cr1 ( -1, -1, 0) 0.1034 (-3.465, -2.001, -6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: (-0.0001 0.0001 0.0001) [Testing!]J_ani: [[-0.047 -0.012 0.054] [-0.012 -0.033 0.059] [ 0.054 0.059 -0.44 ]] ---------------------------------------------------------------------------------------- Cr1 Cr4 ( 1, 1, 0) 0.1034 ( 3.465, 2.001, 6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: ( 0.0001 -0.0001 -0.0001) [Testing!]J_ani: [[-0.047 -0.012 0.054] [-0.012 -0.033 0.059] [ 0.054 0.059 -0.44 ]] ---------------------------------------------------------------------------------------- Cr3 Cr2 ( 1, 1, 0) 0.1034 ( 3.465, 2.001, -6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: (-0.0000 -0.0001 -0.0001) [Testing!]J_ani: [[-0.047 -0.012 -0.078] [-0.012 -0.034 -0.017] [-0.078 -0.017 -0.44 ]] ---------------------------------------------------------------------------------------- Cr2 Cr3 ( 0, -1, 0) 0.1034 ( 3.465, -2.001, 6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: (-0.0001 -0.0000 0.0001) [Testing!]J_ani: [[-0.047 0.012 0.054] [ 0.012 -0.033 -0.059] [ 0.054 -0.059 -0.44 ]] ---------------------------------------------------------------------------------------- Cr4 Cr1 ( 0, -1, 0) 0.1034 ( 3.465, -2.001, -6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: (-0.0000 -0.0001 0.0001) [Testing!]J_ani: [[-0.047 0.012 -0.078] [ 0.012 -0.034 0.017] [-0.078 0.017 -0.44 ]] ---------------------------------------------------------------------------------------- Cr1 Cr4 ( 0, 1, 0) 0.1034 (-3.465, 2.001, 6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: ( 0.0000 0.0001 -0.0001) [Testing!]J_ani: [[-0.047 0.012 -0.078] [ 0.012 -0.034 0.017] [-0.078 0.017 -0.44 ]] ---------------------------------------------------------------------------------------- Cr3 Cr2 ( 0, 1, 0) 0.1034 (-3.465, 2.001, -6.549) 7.674 J_iso: 0.1034 [Testing!] Jprime: 0.503, B: -0.220 [Testing!] DMI: ( 0.0001 0.0000 -0.0001) [Testing!]J_ani: [[-0.047 0.012 0.054] [ 0.012 -0.033 -0.059] [ 0.054 -0.059 -0.44 ]] ---------------------------------------------------------------------------------------- Cr1 Cr2 ( 1, 2, 0) -0.0542 (-0.000, 8.002, 0.000) 8.002 J_iso: -0.0542 [Testing!] Jprime: -0.329, B: 0.101 [Testing!] DMI: (-0.0393 0.0000 -0.0618) [Testing!]J_ani: [[-0.124 -0. 0.113] [-0. -0.019 0. ] [ 0.113 0. 0.203]] ---------------------------------------------------------------------------------------- Cr3 Cr4 ( 1, 2, 0) -0.0540 (-0.000, 8.002, 0.000) 8.002 J_iso: -0.0540 [Testing!] Jprime: -0.330, B: 0.102 [Testing!] DMI: ( 0.0399 -0.0000 0.0608) [Testing!]J_ani: [[-0.125 -0. 0.113] [-0. -0.019 -0. ] [ 0.113 -0. 0.204]] ---------------------------------------------------------------------------------------- Cr2 Cr1 ( -1, -2, 0) -0.0542 ( 0.000, -8.002, 0.000) 8.002 J_iso: -0.0542 [Testing!] Jprime: -0.329, B: 0.101 [Testing!] DMI: ( 0.0393 -0.0000 0.0618) [Testing!]J_ani: [[-0.124 -0. 0.113] [-0. -0.019 0. ] [ 0.113 0. 0.203]] ---------------------------------------------------------------------------------------- Cr4 Cr3 ( -1, -2, 0) -0.0540 ( 0.000, -8.002, 0.000) 8.002 J_iso: -0.0540 [Testing!] Jprime: -0.330, B: 0.102 [Testing!] DMI: (-0.0399 0.0000 -0.0608) [Testing!]J_ani: [[-0.125 -0. 0.113] [-0. -0.019 -0. ] [ 0.113 -0. 0.204]] ---------------------------------------------------------------------------------------- Cr1 Cr2 ( -1, 0, 0) -0.0542 (-6.930, -4.001, 0.000) 8.002 J_iso: -0.0542 [Testing!] Jprime: -0.329, B: 0.101 [Testing!] DMI: ( 0.0197 -0.0340 -0.0618) [Testing!]J_ani: [[-0.046 0.045 -0.057] [ 0.045 -0.098 0.098] [-0.057 0.098 0.203]] ---------------------------------------------------------------------------------------- Cr3 Cr4 ( -1, 0, 0) -0.0540 (-6.930, -4.001, 0.000) 8.002 J_iso: -0.0540 [Testing!] Jprime: -0.330, B: 0.102 [Testing!] DMI: (-0.0200 0.0345 0.0608) [Testing!]J_ani: [[-0.046 0.046 -0.057] [ 0.046 -0.098 0.098] [-0.057 0.098 0.204]] ---------------------------------------------------------------------------------------- Cr2 Cr1 ( 1, 0, 0) -0.0542 ( 6.930, 4.001, 0.000) 8.002 J_iso: -0.0542 [Testing!] Jprime: -0.329, B: 0.101 [Testing!] DMI: (-0.0197 0.0340 0.0618) [Testing!]J_ani: [[-0.046 0.045 -0.057] [ 0.045 -0.098 0.098] [-0.057 0.098 0.203]] ---------------------------------------------------------------------------------------- Cr4 Cr3 ( 1, 0, 0) -0.0540 ( 6.930, 4.001, 0.000) 8.002 J_iso: -0.0540 [Testing!] Jprime: -0.330, B: 0.102 [Testing!] DMI: ( 0.0200 -0.0345 -0.0608) [Testing!]J_ani: [[-0.046 0.046 -0.057] [ 0.046 -0.098 0.098] [-0.057 0.098 0.204]] ---------------------------------------------------------------------------------------- Cr2 Cr1 ( -1, 0, 0) -0.0542 (-6.930, 4.001, 0.000) 8.002 J_iso: -0.0542 [Testing!] Jprime: -0.329, B: 0.101 [Testing!] DMI: (-0.0197 -0.0341 0.0618) [Testing!]J_ani: [[-0.046 -0.045 -0.057] [-0.045 -0.098 -0.098] [-0.057 -0.098 0.203]] ---------------------------------------------------------------------------------------- Cr4 Cr3 ( -1, 0, 0) -0.0541 (-6.930, 4.001, 0.000) 8.002 J_iso: -0.0541 [Testing!] Jprime: -0.330, B: 0.102 [Testing!] DMI: ( 0.0200 0.0346 -0.0608) [Testing!]J_ani: [[-0.046 -0.046 -0.057] [-0.046 -0.098 -0.098] [-0.057 -0.098 0.204]] ---------------------------------------------------------------------------------------- Cr1 Cr2 ( 1, 0, 0) -0.0542 ( 6.930, -4.001, 0.000) 8.002 J_iso: -0.0542 [Testing!] Jprime: -0.329, B: 0.101 [Testing!] DMI: ( 0.0197 0.0341 -0.0618) [Testing!]J_ani: [[-0.046 -0.045 -0.057] [-0.045 -0.098 -0.098] [-0.057 -0.098 0.203]] ---------------------------------------------------------------------------------------- Cr3 Cr4 ( 1, 0, 0) -0.0541 ( 6.930, -4.001, 0.000) 8.002 J_iso: -0.0541 [Testing!] Jprime: -0.330, B: 0.102 [Testing!] DMI: (-0.0200 -0.0346 0.0608) [Testing!]J_ani: [[-0.046 -0.046 -0.057] [-0.046 -0.098 -0.098] [-0.057 -0.098 0.204]] ---------------------------------------------------------------------------------------- Cr1 Cr3 ( -1, -1, 0) 0.0083 (-3.465, -6.002, 6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: ( 0.0066 0.0115 -0.0025) [Testing!]J_ani: [[-0.008 -0.003 0.001] [-0.003 -0.012 0.002] [ 0.001 0.002 -0.049]] ---------------------------------------------------------------------------------------- Cr2 Cr4 ( -1, -1, 0) 0.0083 (-3.465, -6.002, 6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: (-0.0066 -0.0115 0.0025) [Testing!]J_ani: [[-0.008 -0.003 0.001] [-0.003 -0.012 0.002] [ 0.001 0.002 -0.049]] ---------------------------------------------------------------------------------------- Cr3 Cr1 ( -1, -1, 0) -0.1940 (-3.465, -6.002, -6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: ( 0.0178 0.0309 -0.0051) [Testing!]J_ani: [[-0.012 -0.001 0.032] [-0.001 -0.013 0.056] [ 0.032 0.056 0.06 ]] ---------------------------------------------------------------------------------------- Cr4 Cr2 ( -1, -1, 0) -0.1940 (-3.465, -6.002, -6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: (-0.0179 -0.0308 0.0051) [Testing!]J_ani: [[-0.012 -0.001 0.032] [-0.001 -0.013 0.056] [ 0.032 0.056 0.06 ]] ---------------------------------------------------------------------------------------- Cr1 Cr3 ( 1, 1, 0) -0.1940 ( 3.465, 6.002, 6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: (-0.0178 -0.0309 0.0051) [Testing!]J_ani: [[-0.012 -0.001 0.032] [-0.001 -0.013 0.056] [ 0.032 0.056 0.06 ]] ---------------------------------------------------------------------------------------- Cr2 Cr4 ( 1, 1, 0) -0.1940 ( 3.465, 6.002, 6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: ( 0.0179 0.0308 -0.0051) [Testing!]J_ani: [[-0.012 -0.001 0.032] [-0.001 -0.013 0.056] [ 0.032 0.056 0.06 ]] ---------------------------------------------------------------------------------------- Cr3 Cr1 ( 1, 1, 0) 0.0083 ( 3.465, 6.002, -6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: (-0.0066 -0.0115 0.0025) [Testing!]J_ani: [[-0.008 -0.003 0.001] [-0.003 -0.012 0.002] [ 0.001 0.002 -0.049]] ---------------------------------------------------------------------------------------- Cr4 Cr2 ( 1, 1, 0) 0.0083 ( 3.465, 6.002, -6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: ( 0.0066 0.0115 -0.0025) [Testing!]J_ani: [[-0.008 -0.003 0.001] [-0.003 -0.012 0.002] [ 0.001 0.002 -0.049]] ---------------------------------------------------------------------------------------- Cr1 Cr3 ( 0, -1, 0) -0.1940 ( 3.465, -6.002, 6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: (-0.0179 0.0309 0.0051) [Testing!]J_ani: [[-0.012 0.001 0.032] [ 0.001 -0.013 -0.056] [ 0.032 -0.056 0.06 ]] ---------------------------------------------------------------------------------------- Cr2 Cr4 ( 0, -1, 0) -0.1940 ( 3.465, -6.002, 6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: ( 0.0178 -0.0309 -0.0051) [Testing!]J_ani: [[-0.012 0.001 0.032] [ 0.001 -0.013 -0.056] [ 0.032 -0.056 0.059]] ---------------------------------------------------------------------------------------- Cr3 Cr1 ( 0, -1, 0) 0.0083 ( 3.465, -6.002, -6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: (-0.0066 0.0115 0.0025) [Testing!]J_ani: [[-0.008 0.003 0.001] [ 0.003 -0.012 -0.002] [ 0.001 -0.002 -0.049]] ---------------------------------------------------------------------------------------- Cr4 Cr2 ( 0, -1, 0) 0.0083 ( 3.465, -6.002, -6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: ( 0.0066 -0.0115 -0.0025) [Testing!]J_ani: [[-0.008 0.003 0.001] [ 0.003 -0.012 -0.002] [ 0.001 -0.002 -0.049]] ---------------------------------------------------------------------------------------- Cr1 Cr3 ( 0, 1, 0) 0.0083 (-3.465, 6.002, 6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: ( 0.0066 -0.0115 -0.0025) [Testing!]J_ani: [[-0.008 0.003 0.001] [ 0.003 -0.012 -0.002] [ 0.001 -0.002 -0.049]] ---------------------------------------------------------------------------------------- Cr2 Cr4 ( 0, 1, 0) 0.0083 (-3.465, 6.002, 6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: (-0.0066 0.0115 0.0025) [Testing!]J_ani: [[-0.008 0.003 0.001] [ 0.003 -0.012 -0.002] [ 0.001 -0.002 -0.049]] ---------------------------------------------------------------------------------------- Cr3 Cr1 ( 0, 1, 0) -0.1940 (-3.465, 6.002, -6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: ( 0.0179 -0.0309 -0.0051) [Testing!]J_ani: [[-0.012 0.001 0.032] [ 0.001 -0.013 -0.056] [ 0.032 -0.056 0.06 ]] ---------------------------------------------------------------------------------------- Cr4 Cr2 ( 0, 1, 0) -0.1940 (-3.465, 6.002, -6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: (-0.0178 0.0309 0.0051) [Testing!]J_ani: [[-0.012 0.001 0.032] [ 0.001 -0.013 -0.056] [ 0.032 -0.056 0.059]] ---------------------------------------------------------------------------------------- Cr1 Cr3 ( -1, 0, 0) -0.1940 (-6.930, 0.000, 6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: ( 0.0357 0.0001 0.0051) [Testing!]J_ani: [[-0.014 -0. -0.065] [-0. -0.012 -0. ] [-0.065 -0. 0.059]] ---------------------------------------------------------------------------------------- Cr2 Cr4 ( -1, 0, 0) -0.1940 (-6.930, 0.000, 6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: (-0.0357 0.0001 -0.0051) [Testing!]J_ani: [[-0.014 0. -0.065] [ 0. -0.012 0. ] [-0.065 0. 0.059]] ---------------------------------------------------------------------------------------- Cr3 Cr1 ( -1, 0, 0) 0.0083 (-6.930, 0.000, -6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: ( 0.0132 0.0000 0.0025) [Testing!]J_ani: [[-0.014 -0. -0.002] [-0. -0.006 0. ] [-0.002 0. -0.049]] ---------------------------------------------------------------------------------------- Cr4 Cr2 ( -1, 0, 0) 0.0083 (-6.930, 0.000, -6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: (-0.0132 0.0000 -0.0025) [Testing!]J_ani: [[-0.014 0. -0.002] [ 0. -0.006 0. ] [-0.002 0. -0.049]] ---------------------------------------------------------------------------------------- Cr1 Cr3 ( 1, 0, 0) 0.0083 ( 6.930, 0.000, 6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: (-0.0132 -0.0000 -0.0025) [Testing!]J_ani: [[-0.014 -0. -0.002] [-0. -0.006 0. ] [-0.002 0. -0.049]] ---------------------------------------------------------------------------------------- Cr2 Cr4 ( 1, 0, 0) 0.0083 ( 6.930, 0.000, 6.549) 9.535 J_iso: 0.0083 [Testing!] Jprime: 0.047, B: -0.024 [Testing!] DMI: ( 0.0132 -0.0000 0.0025) [Testing!]J_ani: [[-0.014 0. -0.002] [ 0. -0.006 0. ] [-0.002 0. -0.049]] ---------------------------------------------------------------------------------------- Cr3 Cr1 ( 1, 0, 0) -0.1940 ( 6.930, 0.000, -6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: (-0.0357 -0.0001 -0.0051) [Testing!]J_ani: [[-0.014 -0. -0.065] [-0. -0.012 -0. ] [-0.065 -0. 0.059]] ---------------------------------------------------------------------------------------- Cr4 Cr2 ( 1, 0, 0) -0.1940 ( 6.930, 0.000, -6.549) 9.535 J_iso: -0.1940 [Testing!] Jprime: -0.266, B: 0.030 [Testing!] DMI: ( 0.0357 -0.0001 0.0051) [Testing!]J_ani: [[-0.014 0. -0.065] [ 0. -0.012 0. ] [-0.065 0. 0.059]]'
rgx = 'Cell\s*\(Angstrom\):(\s+\S+){9}';
tkn = regexp(txt,rgx,'once','tokens');
mat = sscanf(tkn{1},'%f',[3,3]).'
mat = 3x3
6.9300 0 0 -3.4650 6.0020 0 0 0 25.0000
<mw-icon class=""></mw-icon>
<mw-icon class=""></mw-icon>
mat(1:2,1:2)
ans = 2x2
6.9300 0 -3.4650 6.0020
<mw-icon class=""></mw-icon>
<mw-icon class=""></mw-icon>

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Roderick
Roderick
2024년 7월 31일

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Stephen23
Stephen23
2024년 7월 31일

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