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Browse files- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_024044_0_1.0rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_024843_0_0.9rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_026329_0_1.0rscale.xyz +46 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_027732_0_1.0rscale.xyz +12 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_028118_0_1.0rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_029275_0_1.0rscale.xyz +9 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_030687_0_0.9rscale.xyz +12 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_031897_0_1.1rscale.xyz +55 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_036274_0_1.1rscale.xyz +55 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_039218_0_1.0rscale.xyz +42 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_039218_0_1.1rscale.xyz +48 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_040312_0_0.9rscale.xyz +12 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_042706_0_0.9rscale.xyz +10 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_049556_0_1.0rscale.xyz +12 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_049766_0_0.9rscale.xyz +38 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_051783_0_0.9rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_054962_0_0.9rscale.xyz +49 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_059695_0_0.9rscale.xyz +13 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_059983_0_1.0rscale.xyz +12 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_060821_0_0.9rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_061172_0_0.9rscale.xyz +15 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_062002_0_0.9rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_062770_0_1.1rscale.xyz +84 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_062783_0_1.1rscale.xyz +12 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_063331_0_1.0rscale.xyz +59 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_066509_0_1.0rscale.xyz +10 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_067119_0_0.9rscale.xyz +9 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_068367_0_0.9rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_068654_0_1.0rscale.xyz +37 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_068994_0_0.9rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_071163_0_0.9rscale.xyz +74 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_071163_0_1.1rscale.xyz +83 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_071297_0_0.9rscale.xyz +19 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_071317_0_0.9rscale.xyz +9 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_072458_0_0.9rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_072555_0_0.9rscale.xyz +8 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_073491_0_0.9rscale.xyz +40 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_073987_0_0.9rscale.xyz +20 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_074518_0_1.1rscale.xyz +49 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_077441_0_1.1rscale.xyz +38 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_077451_0_1.0rscale.xyz +9 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_078663_0_1.0rscale.xyz +11 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_080811_0_0.9rscale.xyz +12 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_083589_0_0.9rscale.xyz +19 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_084672_0_0.9rscale.xyz +10 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_086102_0_0.9rscale.xyz +8 -0
- Backend/COD_ICSD_XYZs_POMs_unique99/icsd_086681_0_0.9rscale.xyz +19 -0
Backend/COD_ICSD_XYZs_POMs_unique99/icsd_024044_0_1.0rscale.xyz
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Cr 1.32393 0.0326733 -0.933159
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Cr -1.32393 0.0326733 0.933159
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O 0.661966 -0.909827 -1.97201
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O -0.661966 -0.909827 1.97201
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O -2.3566 1.35217 1.52495
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O 0 1.03549 0
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_024843_0_0.9rscale.xyz
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Cr -0.748184 1.01802 0.848681
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Cr 0.889104 -0.900692 -0.878444
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O -0.594432 2.47306 1.54227
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_026329_0_1.0rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_027732_0_1.0rscale.xyz
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Cr -0.48563 0.41529 1.02593
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_028118_0_1.0rscale.xyz
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Re 1.82782 0 -0.798624
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Re -1.86526 0 0.44097
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_029275_0_1.0rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_030687_0_0.9rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_031897_0_1.1rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_036274_0_1.1rscale.xyz
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1 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_040312_0_0.9rscale.xyz
ADDED
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ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_049766_0_0.9rscale.xyz
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ADDED
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ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_059695_0_0.9rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_059983_0_1.0rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_060821_0_0.9rscale.xyz
ADDED
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1 |
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|
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_061172_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_062002_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,11 @@
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_062770_0_1.1rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_062783_0_1.1rscale.xyz
ADDED
@@ -0,0 +1,12 @@
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|
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|
|
|
|
|
|
|
|
|
|
|
1 |
+
10
|
2 |
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|
3 |
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K 4.58036 -2.25134 -2.22045e-16
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4 |
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Cr -2.06325 0.0989028 -2.22045e-16
|
5 |
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Cr 1.05673 0.239769 -2.22045e-16
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O -0.452731 -0.672895 -2.22045e-16
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_063331_0_1.0rscale.xyz
ADDED
@@ -0,0 +1,59 @@
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1 |
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52 |
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53 |
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54 |
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55 |
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56 |
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|
59 |
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|
Backend/COD_ICSD_XYZs_POMs_unique99/icsd_066509_0_1.0rscale.xyz
ADDED
@@ -0,0 +1,10 @@
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|
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|
|
|
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|
|
|
1 |
+
8
|
2 |
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|
3 |
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Li 1.92409 -1.73625 -0.344932
|
4 |
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Li 1.92409 1.04175 -0.344932
|
5 |
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Cu -0.673517 -0.34725 0.0779406
|
6 |
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Cu -0.673517 2.43075 0.0779406
|
7 |
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O 0.141656 -1.73625 -0.893417
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O -1.39222 -1.73625 1.16041
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10 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_067119_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,9 @@
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|
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|
1 |
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7
|
2 |
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|
3 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_068367_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,11 @@
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|
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|
|
|
|
|
|
|
|
|
1 |
+
9
|
2 |
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|
3 |
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Cr 1.57119 0.327356 0.00678633
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Cr -1.58079 -0.339297 0.112337
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_068654_0_1.0rscale.xyz
ADDED
@@ -0,0 +1,37 @@
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|
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|
|
|
|
|
|
|
|
|
1 |
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35
|
2 |
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|
3 |
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Sn 0.282887 0.100034 0.200052
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Fe 0.475017 -1.65072 2.09448
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_068994_0_0.9rscale.xyz
ADDED
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1 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_071163_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_071163_0_1.1rscale.xyz
ADDED
@@ -0,0 +1,83 @@
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_071297_0_0.9rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_071317_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_072458_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_072555_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_073491_0_0.9rscale.xyz
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_073987_0_0.9rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_074518_0_1.1rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_077441_0_1.1rscale.xyz
ADDED
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_077451_0_1.0rscale.xyz
ADDED
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1 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_078663_0_1.0rscale.xyz
ADDED
@@ -0,0 +1,11 @@
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|
1 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_080811_0_0.9rscale.xyz
ADDED
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|
|
1 |
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10
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_083589_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,19 @@
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1 |
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17
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O 1.61702 -1.28534 -2.7485
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O 4.03223 -0.950509 0.733652
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O 1.66983 -1.29005 1.81426
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19 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_084672_0_0.9rscale.xyz
ADDED
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|
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|
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|
|
|
|
|
|
|
|
|
1 |
+
8
|
2 |
+
|
3 |
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Mn -0.651077 1.30726 4.44089e-16
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4 |
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Mn 0.651077 -1.30726 4.44089e-16
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O 8.88178e-16 0 1.09638
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O 8.88178e-16 0 -1.09638
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|
10 |
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_086102_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,8 @@
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1 |
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6
|
2 |
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|
3 |
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V -2.46133 0.320667 -0.0466429
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Backend/COD_ICSD_XYZs_POMs_unique99/icsd_086681_0_0.9rscale.xyz
ADDED
@@ -0,0 +1,19 @@
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|
|
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|
1 |
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17
|
2 |
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3 |
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17 |
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O 0.703818 0.747452 1.45234
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18 |
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|
19 |
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O 2.26132 -1.30638 -3.1063
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