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AndySAnker
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- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_280639_0_0.9rscale.xyz +26 -0
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- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_419048_0_0.9rscale.xyz +50 -0
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- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_419779_1_0.9rscale.xyz +48 -0
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- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_422360_1_0.9rscale.xyz +44 -0
Backend/COD_ICSD_XYZs_POMs_unique99/icsd_280593_0_1.0rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_280639_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_280643_0_0.9rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_281426_0_1.0rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_281447_0_1.0rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_281584_1_0.9rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_290300_0_0.9rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_380016_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_380357_0_1.0rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_411150_0_1.1rscale.xyz
ADDED
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|
1 |
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53
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55 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_411150_1_1.0rscale.xyz
ADDED
@@ -0,0 +1,36 @@
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1 |
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34
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|
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K 6.86945 -8.88178e-16 -2.07482
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_411558_0_1.1rscale.xyz
ADDED
@@ -0,0 +1,49 @@
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1 |
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47
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_411853_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,30 @@
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|
|
1 |
+
28
|
2 |
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|
3 |
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Ta -1.28302 -1.68696 -1.09621
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4 |
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Ta 1.28302 1.68696 1.09621
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_413819_0_1.1rscale.xyz
ADDED
@@ -0,0 +1,47 @@
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1 |
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45
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_413950_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,11 @@
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|
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|
|
|
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|
|
1 |
+
9
|
2 |
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|
3 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_414047_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,48 @@
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O 2.17415 -1.50487 -2.94527
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O -0.933179 1.29062 -3.46252
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_415648_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,15 @@
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|
|
|
|
|
|
|
|
|
|
|
1 |
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13
|
2 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_415841_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,58 @@
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1 |
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|
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|
3 |
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5 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_415841_0_1.0rscale.xyz
ADDED
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|
1 |
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64
|
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|
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Sb -4.51549 -1.26168 -1.27983
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Sb -2.20789 3.98822 1.51772
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Sb -0.172466 4.6072 -1.3413
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V -2.2518 -0.806539 3.23168
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O 5.04744 -1.26394 -1.7072
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O -0.922432 2.37049 4.77778
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O -1.87397 -4.57762 -2.4283
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O 0.482094 -2.68767 4.76748
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O -0.482094 2.68767 -4.76748
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O 4.10855 -2.9178 2.12301
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O -4.10855 2.9178 -2.12301
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_417524_0_1.1rscale.xyz
ADDED
@@ -0,0 +1,19 @@
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
17
|
2 |
+
|
3 |
+
Cr -1.84352 1.29522 2.21676
|
4 |
+
Cr -0.602976 1.78785 -0.621428
|
5 |
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O -1.91548 1.13612 0.424897
|
6 |
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O -0.798403 0.196586 2.79292
|
7 |
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O -1.38743 2.80591 2.61013
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8 |
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O -3.3423 0.98618 2.75326
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9 |
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O 0.829034 1.42412 0.0388672
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10 |
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O -0.740476 1.10591 -2.09296
|
11 |
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O -0.768525 3.40458 -0.726001
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12 |
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Na -0.375843 -0.754162 -3.53154
|
13 |
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Na 1.33513 -0.769372 3.02713
|
14 |
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O -0.55694 -2.03844 -5.50751
|
15 |
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O 3.4333 -1.78387 3.52583
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16 |
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H 0.145498 -2.03197 -5.89807
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H -0.836208 -2.80862 -5.46743
|
18 |
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H 3.40159 -2.56052 3.3506
|
19 |
+
H 4.02354 -1.39555 3.10455
|
Backend/COD_ICSD_XYZs_POMs_unique99/icsd_417524_1_1.1rscale.xyz
ADDED
@@ -0,0 +1,12 @@
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|
|
|
|
|
|
|
|
|
|
|
1 |
+
10
|
2 |
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|
3 |
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Cr -0.598182 0.172168 -1.10225
|
4 |
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Cr 1.31145 0.194928 1.37883
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5 |
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O -0.320256 -0.122204 0.645739
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O -2.15562 -0.147013 -1.41362
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O 1.12974 0.0708801 2.97971
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O 1.73523 1.70508 0.98634
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Na -3.59403 -1.92468 -0.89621
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_417857_0_1.1rscale.xyz
ADDED
@@ -0,0 +1,47 @@
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1 |
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45
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O 1.39536 1.75753 1.58609
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O -1.39536 -1.75753 -1.58609
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O 1.77636e-15 2.73655 -0.598935
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Na 1.77636e-15 -2.79829 3.0916
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_418527_0_0.9rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_418550_0_1.0rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_419594_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_419594_0_1.1rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_420526_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_420850_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_421055_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_422177_1_1.0rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_422360_1_0.9rscale.xyz
ADDED
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