#VESTA_FORMAT_VERSION 3.5.4 MOLECULE TITLE Cu1 GROUP 1 1 P 1 SYMOP 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Cu Cu1 1.0000 0.000000 10.845000 10.845000 1 - 0.000000 0.000000 0.000000 0.00 2 Cu Cu2 1.0000 3.615000 7.230000 10.845000 1 - 0.000000 0.000000 0.000000 0.00 3 Cu Cu3 1.0000 3.615000 10.845000 7.230000 1 - 0.000000 0.000000 0.000000 0.00 4 Cu Cu4 1.0000 7.230000 3.615000 10.845000 1 - 0.000000 0.000000 0.000000 0.00 5 Cu Cu5 1.0000 7.230000 7.230000 7.230000 1 - 0.000000 0.000000 0.000000 0.00 6 Cu Cu6 1.0000 7.230000 10.845000 3.615000 1 - 0.000000 0.000000 0.000000 0.00 7 Cu Cu7 1.0000 10.845000 0.000000 10.845000 1 - 0.000000 0.000000 0.000000 0.00 8 Cu Cu8 1.0000 10.845000 3.615000 7.230000 1 - 0.000000 0.000000 0.000000 0.00 9 Cu Cu9 1.0000 10.845000 7.230000 3.615000 1 - 0.000000 0.000000 0.000000 0.00 10 Cu Cu10 1.0000 10.845000 10.845000 0.000000 1 - 0.000000 0.000000 0.000000 0.00 11 Cu Cu11 1.0000 3.615000 9.037500 9.037500 1 - 0.000000 0.000000 0.000000 0.00 12 Cu Cu12 1.0000 7.230000 5.422500 9.037500 1 - 0.000000 0.000000 0.000000 0.00 13 Cu Cu13 1.0000 7.230000 9.037500 5.422500 1 - 0.000000 0.000000 0.000000 0.00 14 Cu Cu14 1.0000 10.845000 1.807500 9.037500 1 - 0.000000 0.000000 0.000000 0.00 15 Cu Cu15 1.0000 10.845000 5.422500 5.422500 1 - 0.000000 0.000000 0.000000 0.00 16 Cu Cu16 1.0000 10.845000 9.037500 1.807500 1 - 0.000000 0.000000 0.000000 0.00 17 Cu Cu17 1.0000 1.807500 10.845000 9.037500 1 - 0.000000 0.000000 0.000000 0.00 18 Cu Cu18 1.0000 5.422500 7.230000 9.037500 1 - 0.000000 0.000000 0.000000 0.00 19 Cu Cu19 1.0000 5.422500 10.845000 5.422500 1 - 0.000000 0.000000 0.000000 0.00 20 Cu Cu20 1.0000 9.037500 3.615000 9.037500 1 - 0.000000 0.000000 0.000000 0.00 21 Cu Cu21 1.0000 9.037500 7.230000 5.422500 1 - 0.000000 0.000000 0.000000 0.00 22 Cu Cu22 1.0000 9.037500 10.845000 1.807500 1 - 0.000000 0.000000 0.000000 0.00 23 Cu Cu23 1.0000 1.807500 9.037500 10.845000 1 - 0.000000 0.000000 0.000000 0.00 24 Cu Cu24 1.0000 5.422500 5.422500 10.845000 1 - 0.000000 0.000000 0.000000 0.00 25 Cu Cu25 1.0000 5.422500 9.037500 7.230000 1 - 0.000000 0.000000 0.000000 0.00 26 Cu Cu26 1.0000 9.037500 1.807500 10.845000 1 - 0.000000 0.000000 0.000000 0.00 27 Cu Cu27 1.0000 9.037500 5.422500 7.230000 1 - 0.000000 0.000000 0.000000 0.00 28 Cu Cu28 1.0000 9.037500 9.037500 3.615000 1 - 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Cu1 0.000000 2 Cu2 0.000000 3 Cu3 0.000000 4 Cu4 0.000000 5 Cu5 0.000000 6 Cu6 0.000000 7 Cu7 0.000000 8 Cu8 0.000000 9 Cu9 0.000000 10 Cu10 0.000000 11 Cu11 0.000000 12 Cu12 0.000000 13 Cu13 0.000000 14 Cu14 0.000000 15 Cu15 0.000000 16 Cu16 0.000000 17 Cu17 0.000000 18 Cu18 0.000000 19 Cu19 0.000000 20 Cu20 0.000000 21 Cu21 0.000000 22 Cu22 0.000000 23 Cu23 0.000000 24 Cu24 0.000000 25 Cu25 0.000000 26 Cu26 0.000000 27 Cu27 0.000000 28 Cu28 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND 0 1 0 1 0 1 0 0 0 0 0 SBOND 0 0 0 0 SITET 1 Cu1 1.2800 203 109 81 34 71 220 204 0 2 Cu2 1.2800 203 109 81 34 71 220 204 0 3 Cu3 1.2800 203 109 81 34 71 220 204 0 4 Cu4 1.2800 203 109 81 34 71 220 204 0 5 Cu5 1.2800 203 109 81 34 71 220 204 0 6 Cu6 1.2800 203 109 81 34 71 220 204 0 7 Cu7 1.2800 203 109 81 34 71 220 204 0 8 Cu8 1.2800 203 109 81 34 71 220 204 0 9 Cu9 1.2800 203 109 81 34 71 220 204 0 10 Cu10 1.2800 203 109 81 34 71 220 204 0 11 Cu11 1.2800 203 109 81 34 71 220 204 0 12 Cu12 1.2800 203 109 81 34 71 220 204 0 13 Cu13 1.2800 203 109 81 34 71 220 204 0 14 Cu14 1.2800 203 109 81 34 71 220 204 0 15 Cu15 1.2800 203 109 81 34 71 220 204 0 16 Cu16 1.2800 203 109 81 34 71 220 204 0 17 Cu17 1.2800 203 109 81 34 71 220 204 0 18 Cu18 1.2800 203 109 81 34 71 220 204 0 19 Cu19 1.2800 203 109 81 34 71 220 204 0 20 Cu20 1.2800 203 109 81 34 71 220 204 0 21 Cu21 1.2800 203 109 81 34 71 220 204 0 22 Cu22 1.2800 203 109 81 34 71 220 204 0 23 Cu23 1.2800 203 109 81 34 71 220 204 0 24 Cu24 1.2800 203 109 81 34 71 220 204 0 25 Cu25 1.2800 203 109 81 34 71 220 204 0 26 Cu26 1.2800 203 109 81 34 71 220 204 0 27 Cu27 1.2800 203 109 81 34 71 220 204 0 28 Cu28 1.2800 203 109 81 34 71 220 204 0 0 0 0 0 0 0 VECTR 0 0 0 0 0 VECTT 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 Cu 1.2800 203 109 81 34 71 220 204 0 0 0 0 0 0 SCENE -0.037452 0.679534 -0.732687 0.000000 -0.841688 0.373775 0.389684 0.000000 0.538663 0.631289 0.557957 0.000000 0.000000 0.000000 0.000000 1.000000 -0.309 -0.078 0.000 1.000 HBOND 0 2 STYLE DISPF 37753794 MODEL 1 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 1 VECTS 1.000000 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 204 1 1.000 180 180 180 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 CONTR 0.1 -1 1 1 10 -1 2 5 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 1.000 0 0 0 COMPS 0 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 SECCL 0 TEXCL 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