diff --git a/xyz files/Au cluster delta.xyz b/xyz files/Au cluster delta.xyz index a622c7a029a763ece70badaa324b10e0ae0bb2c6..8ea6e3bd8f3f747508cea84189331af536357fdd 100644 --- a/xyz files/Au cluster delta.xyz +++ b/xyz files/Au cluster delta.xyz @@ -1,82 +1,28 @@ -309 - -Au -8.160000000000000 -6.120000000000000 -2.040000000000000 -Au -6.120000000000000 -8.160000000000000 -2.040000000000000 -Au -6.120000000000000 -6.120000000000000 -4.080000000000000 -Au -8.160000000000000 -8.160000000000000 0.000000000000000 -Au -8.160000000000000 -6.120000000000000 2.039999999999999 -Au -6.120000000000000 -8.160000000000000 2.039999999999999 +147 +XYZ file Au -6.120000000000000 -6.120000000000000 0.000000000000000 -Au -6.120000000000000 -6.120000000000000 4.080000000000000 -Au -8.160000000000000 -2.040000000000000 -6.120000000000000 -Au -6.120000000000000 -4.080000000000000 -6.120000000000000 -Au -6.120000000000000 -2.040000000000000 -8.160000000000000 -Au -8.160000000000000 -4.080000000000000 -4.080000000000000 -Au -8.160000000000000 -2.040000000000000 -2.040000000000000 Au -6.120000000000000 -4.080000000000000 -2.040000000000000 Au -6.120000000000000 -2.040000000000000 -4.080000000000000 -Au -8.160000000000000 -4.080000000000000 0.000000000000000 -Au -8.160000000000000 -2.040000000000000 2.039999999999999 Au -6.120000000000000 -4.080000000000000 2.039999999999999 Au -6.120000000000000 -2.040000000000000 0.000000000000000 -Au -8.160000000000000 -4.080000000000000 4.080000000000000 -Au -8.160000000000000 -2.040000000000000 6.120000000000001 -Au -6.120000000000000 -4.080000000000000 6.120000000000001 Au -6.120000000000000 -2.040000000000000 4.080000000000000 -Au -6.120000000000000 -2.040000000000000 8.160000000000000 -Au -8.160000000000000 0.000000000000000 -8.160000000000000 -Au -8.160000000000000 2.039999999999999 -6.120000000000000 Au -6.120000000000000 0.000000000000000 -6.120000000000000 -Au -6.120000000000000 2.039999999999999 -8.160000000000000 -Au -8.160000000000000 0.000000000000000 -4.080000000000000 -Au -8.160000000000000 2.039999999999999 -2.040000000000000 Au -6.120000000000000 0.000000000000000 -2.040000000000000 Au -6.120000000000000 2.039999999999999 -4.080000000000000 -Au -8.160000000000000 0.000000000000000 0.000000000000000 -Au -8.160000000000000 2.039999999999999 2.039999999999999 Au -6.120000000000000 0.000000000000000 2.039999999999999 Au -6.120000000000000 2.039999999999999 0.000000000000000 -Au -8.160000000000000 0.000000000000000 4.080000000000000 -Au -8.160000000000000 2.039999999999999 6.120000000000001 Au -6.120000000000000 0.000000000000000 6.120000000000001 Au -6.120000000000000 2.039999999999999 4.080000000000000 -Au -8.160000000000000 0.000000000000000 8.160000000000000 -Au -6.120000000000000 2.039999999999999 8.160000000000000 -Au -6.120000000000000 4.080000000000000 -6.120000000000000 -Au -8.160000000000000 4.080000000000000 -4.080000000000000 -Au -8.160000000000000 6.120000000000001 -2.040000000000000 Au -6.120000000000000 4.080000000000000 -2.040000000000000 -Au -6.120000000000000 6.120000000000001 -4.080000000000000 -Au -8.160000000000000 4.080000000000000 0.000000000000000 -Au -8.160000000000000 6.120000000000001 2.039999999999999 Au -6.120000000000000 4.080000000000000 2.039999999999999 Au -6.120000000000000 6.120000000000001 0.000000000000000 -Au -8.160000000000000 4.080000000000000 4.080000000000000 -Au -6.120000000000000 4.080000000000000 6.120000000000001 -Au -6.120000000000000 6.120000000000001 4.080000000000000 -Au -6.120000000000000 8.160000000000000 -2.040000000000000 -Au -8.160000000000000 8.160000000000000 0.000000000000000 -Au -6.120000000000000 8.160000000000000 2.039999999999999 -Au -4.080000000000000 -6.120000000000000 -6.120000000000000 -Au -2.040000000000000 -8.160000000000000 -6.120000000000000 -Au -2.040000000000000 -6.120000000000000 -8.160000000000000 -Au -4.080000000000000 -8.160000000000000 -4.080000000000000 Au -4.080000000000000 -6.120000000000000 -2.040000000000000 -Au -2.040000000000000 -8.160000000000000 -2.040000000000000 Au -2.040000000000000 -6.120000000000000 -4.080000000000000 -Au -4.080000000000000 -8.160000000000000 0.000000000000000 Au -4.080000000000000 -6.120000000000000 2.039999999999999 -Au -2.040000000000000 -8.160000000000000 2.039999999999999 Au -2.040000000000000 -6.120000000000000 0.000000000000000 -Au -4.080000000000000 -8.160000000000000 4.080000000000000 -Au -4.080000000000000 -6.120000000000000 6.120000000000001 -Au -2.040000000000000 -8.160000000000000 6.120000000000001 Au -2.040000000000000 -6.120000000000000 4.080000000000000 -Au -2.040000000000000 -6.120000000000000 8.160000000000000 -Au -4.080000000000000 -4.080000000000000 -8.160000000000000 Au -4.080000000000000 -2.040000000000000 -6.120000000000000 Au -2.040000000000000 -4.080000000000000 -6.120000000000000 -Au -2.040000000000000 -2.040000000000000 -8.160000000000000 Au -4.080000000000000 -4.080000000000000 -4.080000000000000 Au -4.080000000000000 -2.040000000000000 -2.040000000000000 Au -2.040000000000000 -4.080000000000000 -2.040000000000000 @@ -89,12 +35,8 @@ Au -4.080000000000000 -4.080000000000000 4.080000000000000 Au -4.080000000000000 -2.040000000000000 6.120000000000001 Au -2.040000000000000 -4.080000000000000 6.120000000000001 Au -2.040000000000000 -2.040000000000000 4.080000000000000 -Au -4.080000000000000 -4.080000000000000 8.160000000000000 -Au -2.040000000000000 -2.040000000000000 8.160000000000000 -Au -4.080000000000000 0.000000000000000 -8.160000000000000 Au -4.080000000000000 2.039999999999999 -6.120000000000000 Au -2.040000000000000 0.000000000000000 -6.120000000000000 -Au -2.040000000000000 2.039999999999999 -8.160000000000000 Au -4.080000000000000 0.000000000000000 -4.080000000000000 Au -4.080000000000000 2.039999999999999 -2.040000000000000 Au -2.040000000000000 0.000000000000000 -2.040000000000000 @@ -107,12 +49,7 @@ Au -4.080000000000000 0.000000000000000 4.080000000000000 Au -4.080000000000000 2.039999999999999 6.120000000000001 Au -2.040000000000000 0.000000000000000 6.120000000000001 Au -2.040000000000000 2.039999999999999 4.080000000000000 -Au -4.080000000000000 0.000000000000000 8.160000000000000 -Au -2.040000000000000 2.039999999999999 8.160000000000000 -Au -4.080000000000000 4.080000000000000 -8.160000000000000 -Au -4.080000000000000 6.120000000000001 -6.120000000000000 Au -2.040000000000000 4.080000000000000 -6.120000000000000 -Au -2.040000000000000 6.120000000000001 -8.160000000000000 Au -4.080000000000000 4.080000000000000 -4.080000000000000 Au -4.080000000000000 6.120000000000001 -2.040000000000000 Au -2.040000000000000 4.080000000000000 -2.040000000000000 @@ -122,40 +59,17 @@ Au -4.080000000000000 6.120000000000001 2.039999999999999 Au -2.040000000000000 4.080000000000000 2.039999999999999 Au -2.040000000000000 6.120000000000001 0.000000000000000 Au -4.080000000000000 4.080000000000000 4.080000000000000 -Au -4.080000000000000 6.120000000000001 6.120000000000001 Au -2.040000000000000 4.080000000000000 6.120000000000001 Au -2.040000000000000 6.120000000000001 4.080000000000000 -Au -4.080000000000000 4.080000000000000 8.160000000000000 -Au -2.040000000000000 6.120000000000001 8.160000000000000 -Au -2.040000000000000 8.160000000000000 -6.120000000000000 -Au -4.080000000000000 8.160000000000000 -4.080000000000000 -Au -2.040000000000000 8.160000000000000 -2.040000000000000 -Au -4.080000000000000 8.160000000000000 0.000000000000000 -Au -2.040000000000000 8.160000000000000 2.039999999999999 -Au -4.080000000000000 8.160000000000000 4.080000000000000 -Au -2.040000000000000 8.160000000000000 6.120000000000001 -Au 0.000000000000000 -8.160000000000000 -8.160000000000000 Au 0.000000000000000 -6.120000000000000 -6.120000000000000 -Au 2.039999999999999 -8.160000000000000 -6.120000000000000 -Au 2.039999999999999 -6.120000000000000 -8.160000000000000 -Au 0.000000000000000 -8.160000000000000 -4.080000000000000 Au 0.000000000000000 -6.120000000000000 -2.040000000000000 -Au 2.039999999999999 -8.160000000000000 -2.040000000000000 Au 2.039999999999999 -6.120000000000000 -4.080000000000000 -Au 0.000000000000000 -8.160000000000000 0.000000000000000 Au 0.000000000000000 -6.120000000000000 2.039999999999999 -Au 2.039999999999999 -8.160000000000000 2.039999999999999 Au 2.039999999999999 -6.120000000000000 0.000000000000000 -Au 0.000000000000000 -8.160000000000000 4.080000000000000 Au 0.000000000000000 -6.120000000000000 6.120000000000001 -Au 2.039999999999999 -8.160000000000000 6.120000000000001 Au 2.039999999999999 -6.120000000000000 4.080000000000000 -Au 0.000000000000000 -8.160000000000000 8.160000000000000 -Au 2.039999999999999 -6.120000000000000 8.160000000000000 -Au 0.000000000000000 -4.080000000000000 -8.160000000000000 Au 0.000000000000000 -2.040000000000000 -6.120000000000000 Au 2.039999999999999 -4.080000000000000 -6.120000000000000 -Au 2.039999999999999 -2.040000000000000 -8.160000000000000 Au 0.000000000000000 -4.080000000000000 -4.080000000000000 Au 0.000000000000000 -2.040000000000000 -2.040000000000000 Au 2.039999999999999 -4.080000000000000 -2.040000000000000 @@ -168,12 +82,8 @@ Au 0.000000000000000 -4.080000000000000 4.080000000000000 Au 0.000000000000000 -2.040000000000000 6.120000000000001 Au 2.039999999999999 -4.080000000000000 6.120000000000001 Au 2.039999999999999 -2.040000000000000 4.080000000000000 -Au 0.000000000000000 -4.080000000000000 8.160000000000000 -Au 2.039999999999999 -2.040000000000000 8.160000000000000 -Au 0.000000000000000 0.000000000000000 -8.160000000000000 Au 0.000000000000000 2.039999999999999 -6.120000000000000 Au 2.039999999999999 0.000000000000000 -6.120000000000000 -Au 2.039999999999999 2.039999999999999 -8.160000000000000 Au 0.000000000000000 0.000000000000000 -4.080000000000000 Au 0.000000000000000 2.039999999999999 -2.040000000000000 Au 2.039999999999999 0.000000000000000 -2.040000000000000 @@ -186,12 +96,8 @@ Au 0.000000000000000 0.000000000000000 4.080000000000000 Au 0.000000000000000 2.039999999999999 6.120000000000001 Au 2.039999999999999 0.000000000000000 6.120000000000001 Au 2.039999999999999 2.039999999999999 4.080000000000000 -Au 0.000000000000000 0.000000000000000 8.160000000000000 -Au 2.039999999999999 2.039999999999999 8.160000000000000 -Au 0.000000000000000 4.080000000000000 -8.160000000000000 Au 0.000000000000000 6.120000000000001 -6.120000000000000 Au 2.039999999999999 4.080000000000000 -6.120000000000000 -Au 2.039999999999999 6.120000000000001 -8.160000000000000 Au 0.000000000000000 4.080000000000000 -4.080000000000000 Au 0.000000000000000 6.120000000000001 -2.040000000000000 Au 2.039999999999999 4.080000000000000 -2.040000000000000 @@ -204,33 +110,10 @@ Au 0.000000000000000 4.080000000000000 4.080000000000000 Au 0.000000000000000 6.120000000000001 6.120000000000001 Au 2.039999999999999 4.080000000000000 6.120000000000001 Au 2.039999999999999 6.120000000000001 4.080000000000000 -Au 0.000000000000000 4.080000000000000 8.160000000000000 -Au 2.039999999999999 6.120000000000001 8.160000000000000 -Au 0.000000000000000 8.160000000000000 -8.160000000000000 -Au 2.039999999999999 8.160000000000000 -6.120000000000000 -Au 0.000000000000000 8.160000000000000 -4.080000000000000 -Au 2.039999999999999 8.160000000000000 -2.040000000000000 -Au 0.000000000000000 8.160000000000000 0.000000000000000 -Au 2.039999999999999 8.160000000000000 2.039999999999999 -Au 0.000000000000000 8.160000000000000 4.080000000000000 -Au 2.039999999999999 8.160000000000000 6.120000000000001 -Au 0.000000000000000 8.160000000000000 8.160000000000000 -Au 4.080000000000000 -6.120000000000000 -6.120000000000000 -Au 4.080000000000000 -8.160000000000000 -4.080000000000000 Au 4.080000000000000 -6.120000000000000 -2.040000000000000 -Au 6.120000000000001 -8.160000000000000 -2.040000000000000 -Au 6.120000000000001 -6.120000000000000 -4.080000000000000 -Au 4.080000000000000 -8.160000000000000 0.000000000000000 Au 4.080000000000000 -6.120000000000000 2.039999999999999 -Au 6.120000000000001 -8.160000000000000 2.039999999999999 Au 6.120000000000001 -6.120000000000000 0.000000000000000 -Au 4.080000000000000 -8.160000000000000 4.080000000000000 -Au 4.080000000000000 -6.120000000000000 6.120000000000001 -Au 6.120000000000001 -6.120000000000000 4.080000000000000 -Au 4.080000000000000 -4.080000000000000 -8.160000000000000 Au 4.080000000000000 -2.040000000000000 -6.120000000000000 -Au 6.120000000000001 -4.080000000000000 -6.120000000000000 -Au 6.120000000000001 -2.040000000000000 -8.160000000000000 Au 4.080000000000000 -4.080000000000000 -4.080000000000000 Au 4.080000000000000 -2.040000000000000 -2.040000000000000 Au 6.120000000000001 -4.080000000000000 -2.040000000000000 @@ -241,14 +124,9 @@ Au 6.120000000000001 -4.080000000000000 2.039999999999999 Au 6.120000000000001 -2.040000000000000 0.000000000000000 Au 4.080000000000000 -4.080000000000000 4.080000000000000 Au 4.080000000000000 -2.040000000000000 6.120000000000001 -Au 6.120000000000001 -4.080000000000000 6.120000000000001 Au 6.120000000000001 -2.040000000000000 4.080000000000000 -Au 4.080000000000000 -4.080000000000000 8.160000000000000 -Au 6.120000000000001 -2.040000000000000 8.160000000000000 -Au 4.080000000000000 0.000000000000000 -8.160000000000000 Au 4.080000000000000 2.039999999999999 -6.120000000000000 Au 6.120000000000001 0.000000000000000 -6.120000000000000 -Au 6.120000000000001 2.039999999999999 -8.160000000000000 Au 4.080000000000000 0.000000000000000 -4.080000000000000 Au 4.080000000000000 2.039999999999999 -2.040000000000000 Au 6.120000000000001 0.000000000000000 -2.040000000000000 @@ -261,51 +139,11 @@ Au 4.080000000000000 0.000000000000000 4.080000000000000 Au 4.080000000000000 2.039999999999999 6.120000000000001 Au 6.120000000000001 0.000000000000000 6.120000000000001 Au 6.120000000000001 2.039999999999999 4.080000000000000 -Au 4.080000000000000 0.000000000000000 8.160000000000000 -Au 6.120000000000001 2.039999999999999 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