#VESTA_FORMAT_VERSION 3.3.0 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 31 123 Pmn2_1 PSPGR 62 1 P n m a SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 1 1 0.000000 0.000000 0.000000 -1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.500000 1 0 0 0 -1 0 0 0 1 1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0 -0.000000 -0.000000 -0.000000 1 0 0 0 1 0 0 0 1 LTRANSL -1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 LORIENT -1 0 0 0 0 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 1.000000 LMATRIX 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 CELLP 22.983000 16.263000 5.419000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Fe Fe1_1 1.0000 0.750000 0.750000 0.000000 4b 1 0.000000 0.000000 0.000000 0.00 2 Fe Fe1_2 1.0000 0.750000 0.416670 0.000000 4b 1 0.000000 0.000000 0.000000 0.00 3 Fe Fe1_3 1.0000 0.750000 0.083340 0.000000 4b 1 0.000000 0.000000 0.000000 0.00 4 Fe Fe2_1 1.0000 -0.087110 0.748680 -0.011470 4b 1 0.000000 0.000000 0.000000 0.00 5 Fe Fe2_2 1.0000 -0.087110 0.415350 -0.011470 4b 1 0.000000 0.000000 0.000000 0.00 6 Fe Fe2_3 1.0000 -0.087110 0.082010 -0.011470 4b 1 0.000000 0.000000 0.000000 0.00 7 Fe Fe2_4 1.0000 0.087110 -0.084650 0.511470 4b 1 0.000000 0.000000 0.000000 0.00 8 Fe Fe2_5 1.0000 0.087110 0.582010 0.511470 4b 1 0.000000 0.000000 0.000000 0.00 9 Fe Fe2_6 1.0000 0.087110 0.248680 0.511470 4b 1 0.000000 0.000000 0.000000 0.00 10 La La1_1 0.7700 0.000000 0.600000 0.018000 2a m.. 0.000000 0.000000 0.000000 0.00 11 La La1_2 0.7700 0.000000 0.933330 0.018000 2a m.. 0.000000 0.000000 0.000000 0.00 12 La La1_3 0.7700 0.000000 0.766670 0.482000 2a m.. 0.000000 0.000000 0.000000 0.00 13 La La1_4 0.7700 0.000000 0.433330 0.482000 2a m.. 0.000000 0.000000 0.000000 0.00 14 La La1_5 0.7700 0.000000 0.266670 0.018000 2a m.. 0.000000 0.000000 0.000000 0.00 15 La La1_6 0.7700 0.000000 0.100000 0.482000 2a m.. 0.000000 0.000000 0.000000 0.00 16 Ca Ca1_1 0.2300 0.000000 0.600000 0.018000 2a m.. 0.000000 0.000000 0.000000 0.00 17 Ca Ca1_2 0.2300 0.000000 0.933330 0.018000 2a m.. 0.000000 0.000000 0.000000 0.00 18 Ca Ca1_3 0.2300 0.000000 0.766670 0.482000 2a m.. 0.000000 0.000000 0.000000 0.00 19 Ca Ca1_4 0.2300 0.000000 0.433330 0.482000 2a m.. 0.000000 0.000000 0.000000 0.00 20 Ca Ca1_5 0.2300 0.000000 0.266670 0.018000 2a m.. 0.000000 0.000000 0.000000 0.00 21 Ca Ca1_6 0.2300 0.000000 0.100000 0.482000 2a m.. 0.000000 0.000000 0.000000 0.00 22 La La2_1 0.1200 0.832000 0.593670 0.993000 4b 1 0.000000 0.000000 0.000000 0.00 23 La La2_2 0.1200 0.668000 0.073000 0.493000 4b 1 0.000000 0.000000 0.000000 0.00 24 La La2_3 0.1200 0.332000 0.239670 0.007000 4b 1 0.000000 0.000000 0.000000 0.00 25 La La2_4 0.1200 0.168000 0.427000 0.507000 4b 1 0.000000 0.000000 0.000000 0.00 26 La La2_5 0.1200 0.832000 0.260330 0.993000 4b 1 0.000000 0.000000 0.000000 0.00 27 La La2_6 0.1200 0.332000 0.906330 0.007000 4b 1 0.000000 0.000000 0.000000 0.00 28 Ca Ca2_1 0.8800 0.832000 0.593670 0.993000 4b 1 0.000000 0.000000 0.000000 0.00 29 Ca Ca2_2 0.8800 0.668000 0.073000 0.493000 4b 1 0.000000 0.000000 0.000000 0.00 30 Ca Ca2_3 0.8800 0.332000 0.239670 0.007000 4b 1 0.000000 0.000000 0.000000 0.00 31 Ca Ca2_4 0.8800 0.168000 0.427000 0.507000 4b 1 0.000000 0.000000 0.000000 0.00 32 Ca Ca2_5 0.8800 0.832000 0.260330 0.993000 4b 1 0.000000 0.000000 0.000000 0.00 33 Ca Ca2_6 0.8800 0.332000 0.906330 0.007000 4b 1 0.000000 0.000000 0.000000 0.00 34 O O1_1 1.0000 0.831000 0.743700 0.929900 4b 1 0.000000 0.000000 0.000000 0.00 35 O O1_2 1.0000 0.669000 0.922970 0.429900 4b 1 0.000000 0.000000 0.000000 0.00 36 O O1_3 1.0000 0.331000 0.089630 0.070100 4b 1 0.000000 0.000000 0.000000 0.00 37 O O1_4 1.0000 0.169000 0.577030 0.570100 4b 1 0.000000 0.000000 0.000000 0.00 38 O O1_5 1.0000 0.831000 0.410370 0.929900 4b 1 0.000000 0.000000 0.000000 0.00 39 O O1_6 1.0000 0.331000 0.756300 0.070100 4b 1 0.000000 0.000000 0.000000 0.00 40 O O2_1 1.0000 0.000000 0.750200 0.061400 2a m.. 0.000000 0.000000 0.000000 0.00 41 O O2_2 1.0000 0.000000 0.083530 0.061400 2a m.. 0.000000 0.000000 0.000000 0.00 42 O O2_3 1.0000 0.000000 0.916870 0.438600 2a m.. 0.000000 0.000000 0.000000 0.00 43 O O2_4 1.0000 0.000000 0.583530 0.438600 2a m.. 0.000000 0.000000 0.000000 0.00 44 O O2_5 1.0000 0.000000 0.416870 0.061400 2a m.. 0.000000 0.000000 0.000000 0.00 45 O O2_6 1.0000 0.000000 0.250200 0.438600 2a m.. 0.000000 0.000000 0.000000 0.00 46 O O3_1 1.0000 0.763230 0.843670 0.211400 4b 1 0.000000 0.000000 0.000000 0.00 47 O O3_2 1.0000 0.736770 0.823000 0.711400 4b 1 0.000000 0.000000 0.000000 0.00 48 O O3_3 1.0000 0.263230 0.989670 0.788600 4b 1 0.000000 0.000000 0.000000 0.00 49 O O3_4 1.0000 0.236770 0.677000 0.288600 4b 1 0.000000 0.000000 0.000000 0.00 50 O O3_5 1.0000 0.763230 0.510330 0.211400 4b 1 0.000000 0.000000 0.000000 0.00 51 O O3_6 1.0000 0.263230 0.656330 0.788600 4b 1 0.000000 0.000000 0.000000 0.00 52 O O4_1 1.0000 0.907700 0.839830 0.229500 4b 1 0.000000 0.000000 0.000000 0.00 53 O O4_2 1.0000 0.592300 0.826830 0.729500 4b 1 0.000000 0.000000 0.000000 0.00 54 O O4_3 1.0000 0.407700 0.993500 0.770500 4b 1 0.000000 0.000000 0.000000 0.00 55 O O4_4 1.0000 0.092300 0.673170 0.270500 4b 1 0.000000 0.000000 0.000000 0.00 56 O O4_5 1.0000 0.907700 0.506500 0.229500 4b 1 0.000000 0.000000 0.000000 0.00 57 O O4_6 1.0000 0.407700 0.660170 0.770500 4b 1 0.000000 0.000000 0.000000 0.00 58 O O5_1 1.0000 0.928090 0.824300 0.718800 4b 1 0.000000 0.000000 0.000000 0.00 59 O O5_2 1.0000 0.571910 0.842370 0.218800 4b 1 0.000000 0.000000 0.000000 0.00 60 O O5_3 1.0000 0.428090 0.009030 0.281200 4b 1 0.000000 0.000000 0.000000 0.00 61 O O5_4 1.0000 0.071910 0.657630 0.781200 4b 1 0.000000 0.000000 0.000000 0.00 62 O O5_5 1.0000 0.928090 0.490970 0.718800 4b 1 0.000000 0.000000 0.000000 0.00 63 O O5_6 1.0000 0.428090 0.675700 0.281200 4b 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Fe1_1 1.000000 2 Fe1_2 1.000000 3 Fe1_3 1.000000 4 Fe2_1 1.000000 5 Fe2_2 1.000000 6 Fe2_3 1.000000 7 Fe2_4 1.000000 8 Fe2_5 1.000000 9 Fe2_6 1.000000 10 La1_1 1.000000 11 La1_2 1.000000 12 La1_3 1.000000 13 La1_4 1.000000 14 La1_5 1.000000 15 La1_6 1.000000 16 Ca1_1 1.000000 17 Ca1_2 1.000000 18 Ca1_3 1.000000 19 Ca1_4 1.000000 20 Ca1_5 1.000000 21 Ca1_6 1.000000 22 La2_1 1.000000 23 La2_2 1.000000 24 La2_3 1.000000 25 La2_4 1.000000 26 La2_5 1.000000 27 La2_6 1.000000 28 Ca2_1 1.000000 29 Ca2_2 1.000000 30 Ca2_3 1.000000 31 Ca2_4 1.000000 32 Ca2_5 1.000000 33 Ca2_6 1.000000 34 O1_1 1.000000 35 O1_2 1.000000 36 O1_3 1.000000 37 O1_4 1.000000 38 O1_5 1.000000 39 O1_6 1.000000 40 O2_1 1.000000 41 O2_2 1.000000 42 O2_3 1.000000 43 O2_4 1.000000 44 O2_5 1.000000 45 O2_6 1.000000 46 O3_1 1.000000 47 O3_2 1.000000 48 O3_3 1.000000 49 O3_4 1.000000 50 O3_5 1.000000 51 O3_6 1.000000 52 O4_1 1.000000 53 O4_2 1.000000 54 O4_3 1.000000 55 O4_4 1.000000 56 O4_5 1.000000 57 O4_6 1.000000 58 O5_1 1.000000 59 O5_2 1.000000 60 O5_3 1.000000 61 O5_4 1.000000 62 O5_5 1.000000 63 O5_6 1.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND 0 1 0 1 -0.1 1.1 0 0 0 0 0 SBOND 1 Fe O 0.00000 2.44693 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Fe1_1 1.2600 181 113 0 181 113 0 40 0 2 Fe1_2 1.2600 181 113 0 181 113 0 40 0 3 Fe1_3 1.2600 181 113 0 181 113 0 40 0 4 Fe2_1 1.2600 181 113 0 181 113 0 40 0 5 Fe2_2 1.2600 181 113 0 181 113 0 40 0 6 Fe2_3 1.2600 181 113 0 181 113 0 40 0 7 Fe2_4 1.2600 181 113 0 181 113 0 40 0 8 Fe2_5 1.2600 181 113 0 181 113 0 40 0 9 Fe2_6 1.2600 181 113 0 181 113 0 40 0 10 La1_1 1.2000 45 99 36 90 196 73 40 0 11 La1_2 1.2000 45 99 36 90 196 73 40 0 12 La1_3 1.2000 45 99 36 90 196 73 40 0 13 La1_4 1.2000 45 99 36 90 196 73 40 0 14 La1_5 1.2000 45 99 36 90 196 73 40 0 15 La1_6 1.2000 45 99 36 90 196 73 40 0 16 Ca1_1 1.2000 221 201 70 90 150 189 40 0 17 Ca1_2 1.2000 221 201 70 90 150 189 40 0 18 Ca1_3 1.2000 221 201 70 90 150 189 40 0 19 Ca1_4 1.2000 221 201 70 90 150 189 40 0 20 Ca1_5 1.2000 221 201 70 90 150 189 40 0 21 Ca1_6 1.2000 221 201 70 90 150 189 40 0 22 La2_1 1.2000 45 99 36 90 196 73 40 0 23 La2_2 1.2000 45 99 36 90 196 73 40 0 24 La2_3 1.2000 45 99 36 90 196 73 40 0 25 La2_4 1.2000 45 99 36 90 196 73 40 0 26 La2_5 1.2000 45 99 36 90 196 73 40 0 27 La2_6 1.2000 45 99 36 90 196 73 40 0 28 Ca2_1 1.2000 221 201 70 90 150 189 40 0 29 Ca2_2 1.2000 221 201 70 90 150 189 40 0 30 Ca2_3 1.2000 221 201 70 90 150 189 40 0 31 Ca2_4 1.2000 221 201 70 90 150 189 40 0 32 Ca2_5 1.2000 221 201 70 90 150 189 40 0 33 Ca2_6 1.2000 221 201 70 90 150 189 40 0 34 O1_1 0.4000 254 3 0 254 3 0 40 0 35 O1_2 0.4000 254 3 0 254 3 0 40 0 36 O1_3 0.4000 254 3 0 254 3 0 40 0 37 O1_4 0.4000 254 3 0 254 3 0 40 0 38 O1_5 0.4000 254 3 0 254 3 0 40 0 39 O1_6 0.4000 254 3 0 254 3 0 40 0 40 O2_1 0.4000 254 3 0 254 3 0 40 0 41 O2_2 0.4000 254 3 0 254 3 0 40 0 42 O2_3 0.4000 254 3 0 254 3 0 40 0 43 O2_4 0.4000 254 3 0 254 3 0 40 0 44 O2_5 0.4000 254 3 0 254 3 0 40 0 45 O2_6 0.4000 254 3 0 254 3 0 40 0 46 O3_1 0.4000 254 3 0 254 3 0 40 0 47 O3_2 0.4000 254 3 0 254 3 0 40 0 48 O3_3 0.4000 254 3 0 254 3 0 40 0 49 O3_4 0.4000 254 3 0 254 3 0 40 0 50 O3_5 0.4000 254 3 0 254 3 0 40 0 51 O3_6 0.4000 254 3 0 254 3 0 40 0 52 O4_1 0.4000 254 3 0 254 3 0 40 0 53 O4_2 0.4000 254 3 0 254 3 0 40 0 54 O4_3 0.4000 254 3 0 254 3 0 40 0 55 O4_4 0.4000 254 3 0 254 3 0 40 0 56 O4_5 0.4000 254 3 0 254 3 0 40 0 57 O4_6 0.4000 254 3 0 254 3 0 40 0 58 O5_1 0.4000 254 3 0 254 3 0 40 0 59 O5_2 0.4000 254 3 0 254 3 0 40 0 60 O5_3 0.4000 254 3 0 254 3 0 40 0 61 O5_4 0.4000 254 3 0 254 3 0 40 0 62 O5_5 0.4000 254 3 0 254 3 0 40 0 63 O5_6 0.4000 254 3 0 254 3 0 40 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 0.00000 0.00000 0.00000 0 2 0 0 0 0 0 0 0 0 0 3 0.00000 0.00000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 0.00000 -2.14787 0.00003 0 4 0 0 0 0 0 0 0 0 0 5 0.00000 1.07395 1.47519 0 5 0 0 0 0 0 0 0 0 0 6 0.00000 1.07387 -1.47521 0 6 0 0 0 0 0 0 0 0 0 7 0.00000 -1.07397 -1.47521 0 7 0 0 0 0 0 0 0 0 0 8 0.00000 -1.07393 1.47525 0 8 0 0 0 0 0 0 0 0 0 9 0.00000 2.14790 -0.00003 0 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 1 2 0.500 255 0 0 1 3 0.500 255 0 0 1 4 0.500 255 0 0 1 5 0.500 255 0 0 1 6 0.500 255 0 0 1 7 0.500 255 0 0 1 8 0.500 255 0 0 1 9 0.500 255 0 0 1 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 PLN2D 0 0 0 0 ATOMT 1 Fe 1.2600 181 113 0 181 113 0 40 2 La 1.2000 45 99 36 90 196 73 40 3 Ca 1.2000 221 201 70 90 150 189 40 4 O 0.4000 254 3 0 254 3 0 40 0 0 0 0 0 0 SCENE 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.990 HBOND 0 2 STYLE DISPF 37753794 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 0.698357 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 2.000 127 127 127 POLYP 40 1 1.000 121 121 121 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 0.00000E+00 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 1.000 0 0 0 COMPS 1 LABEL 1 12 1.000 0 PROJT 0 0.962 BKGRC 255 255 255 DPTHQ 1 -0.5000 3.5000 LIGHT0 1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 26 26 26 255 179 179 179 255 255 255 255 255 LIGHT1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT2 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT3 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 ATOMM 204 204 204 255 25.600 BONDM 255 255 255 255 128.000 POLYM 255 255 255 255 128.000 SURFM 0 0 0 255 128.000 FORMM 255 255 255 255 128.000 HKLPM 255 255 255 255 128.000