diff --git a/ARISE.ipynb b/ARISE.ipynb
index 70be287eba3107228532cde19f870a9e36cdca67..6f6c0a5d1472f562ce1f3ffdb6f81e22802e83e5 100644
--- a/ARISE.ipynb
+++ b/ARISE.ipynb
@@ -4,37 +4,15 @@
"cell_type": "markdown",
"metadata": {},
"source": [
- "<div id=\"teaser\" style=' background-position: right center; background-size: 00px; background-repeat: no-repeat; \n",
- " padding-top: 20px;\n",
- " padding-right: 10px;\n",
- " padding-bottom: 170px;\n",
- " padding-left: 10px;\n",
- " border-bottom: 14px double #333;\n",
- " border-top: 14px double #333;' > \n",
- "\n",
- "\n",
- "\n",
- " <div style=\"text-align:center\">\n",
- " <b><font size=\"6.4\">ARISE - Robust recognition and exploratory analysis of crystal structures via Bayesian-deep-learning</font></b> \n",
- " </div>\n",
- " \n",
- "<p>\n",
- "\n",
- "\n",
- "created by: \n",
- "Andreas Leitherer<sup>1</sup>,\n",
- "Angelo Ziletti<sup>1</sup>,\n",
- "and Luca Ghiringhelli<sup> 1</sup>\n",
- "***\n",
- "\n",
- "<sup>1</sup> Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, D-14195 Berlin, Germany\n",
- "<span class=\"nomad--last-updated\" data-version=\"v1.0.0\">[Last updated: March 22, 2021]</span>\n",
- "\n",
- "<div> \n",
- "<img style=\"float: left;\" src=\"assets/ARISE/Logo_MPG.png\" width=\"200\"> \n",
- "<img style=\"float: right;\" src=https://nomad-coe.eu/uploads/nomad/images/NOMAD_Logo2.png width=\"250\">\n",
- "</div>\n",
- "</div>"
+ "<img src=\"assets/arise/header.jpg\" width=\"900\"> "
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "<img style=\"float: left;\" src=\"assets/arise/logo_NOMAD.png\" width=300>\n",
+ "<img style=\"float: right;\" src=\"assets/arise/logo_MPG.png\" width=170> "
]
},
{
@@ -70,7 +48,12 @@
{
"cell_type": "code",
"execution_count": null,
- "metadata": {},
+ "metadata": {
+ "ExecuteTime": {
+ "end_time": "2021-11-11T18:14:39.843289Z",
+ "start_time": "2021-11-11T18:14:38.750982Z"
+ }
+ },
"outputs": [],
"source": [
"import warnings\n",
diff --git a/assets/ARISE/ARISE_logo.svg b/assets/arise/ARISE_logo.svg
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diff --git a/assets/ARISE/concept_figure_global.svg b/assets/arise/concept_figure_global.svg
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diff --git a/assets/ARISE/concept_figure_local.svg b/assets/arise/concept_figure_local.svg
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diff --git a/data/ARISE/calculations/BN_bulk_predictions.npy b/data/arise/calculations/BN_bulk_predictions.npy
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diff --git a/data/ARISE/calculations/NOMAD_P1_predictions.npy b/data/arise/calculations/NOMAD_P1_predictions.npy
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diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/GaSe/GaSe_Ga2Se2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/GaSe/GaSe_Ga2Se2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/GaSe/GaSe_Ga2Se2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/GaSe/GaSe_Ga2Se2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/GeS2/GeS2_GeS2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/GeS2/GeS2_GeS2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/GeS2/GeS2_GeS2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/GeS2/GeS2_GeS2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/GeSe/GeSe_GeSe.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/GeSe/GeSe_GeSe.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/GeSe/GeSe_GeSe.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/GeSe/GeSe_GeSe.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/HfBrS/HfBrS_Br4Hf4S4.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/HfBrS/HfBrS_Br4Hf4S4.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/HfBrS/HfBrS_Br4Hf4S4.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/HfBrS/HfBrS_Br4Hf4S4.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/MnPSe3/MnPSe3_Mn2P2Se6.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/MnPSe3/MnPSe3_Mn2P2Se6.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/MnPSe3/MnPSe3_Mn2P2Se6.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/MnPSe3/MnPSe3_Mn2P2Se6.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/MnS2/MnS2_Mn2S4.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/MnS2/MnS2_Mn2S4.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/MnS2/MnS2_Mn2S4.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/MnS2/MnS2_Mn2S4.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/MoS2/MoS2_MoS2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/MoS2/MoS2_MoS2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/MoS2/MoS2_MoS2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/MoS2/MoS2_MoS2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/MoSSe/MoSSe_MoSSe.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/MoSSe/MoSSe_MoSSe.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/MoSSe/MoSSe_MoSSe.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/MoSSe/MoSSe_MoSSe.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/NiSe/NiSe_Ni2Se2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/NiSe/NiSe_Ni2Se2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/NiSe/NiSe_Ni2Se2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/NiSe/NiSe_Ni2Se2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/P/P_P4.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/P/P_P4.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/P/P_P4.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/P/P_P4.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/PbA2I4/PbA2I4_C16H48Br4Cl4Ge2N4.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/PbA2I4/PbA2I4_C16H48Br4Cl4Ge2N4.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/PbA2I4/PbA2I4_C16H48Br4Cl4Ge2N4.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/PbA2I4/PbA2I4_C16H48Br4Cl4Ge2N4.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/PbS/PbS_Pb2S2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/PbS/PbS_Pb2S2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/PbS/PbS_Pb2S2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/PbS/PbS_Pb2S2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/PbSe/PbSe_Pb2Se2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/PbSe/PbSe_Pb2Se2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/PbSe/PbSe_Pb2Se2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/PbSe/PbSe_Pb2Se2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/PdS2/PdS2_Pd2S4.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/PdS2/PdS2_Pd2S4.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/PdS2/PdS2_Pd2S4.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/PdS2/PdS2_Pd2S4.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/ReS2/ReS2_Re4S8.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/ReS2/ReS2_Re4S8.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/ReS2/ReS2_Re4S8.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/ReS2/ReS2_Re4S8.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/RhO/RhO_O2Rh2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/RhO/RhO_O2Rh2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/RhO/RhO_O2Rh2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/RhO/RhO_O2Rh2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/ScPSe3/ScPSe3_P2Sc2Se6.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/ScPSe3/ScPSe3_P2Sc2Se6.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/ScPSe3/ScPSe3_P2Sc2Se6.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/ScPSe3/ScPSe3_P2Sc2Se6.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/SnS/SnS_S2Sn2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/SnS/SnS_S2Sn2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/SnS/SnS_S2Sn2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/SnS/SnS_S2Sn2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti2CH2O2/Ti2CH2O2_CH2O2Ti2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/Ti2CH2O2/Ti2CH2O2_CH2O2Ti2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti2CH2O2/Ti2CH2O2_CH2O2Ti2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/Ti2CH2O2/Ti2CH2O2_CH2O2Ti2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti2CO2/Ti2CO2_CO2Ti2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/Ti2CO2/Ti2CO2_CO2Ti2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti2CO2/Ti2CO2_CO2Ti2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/Ti2CO2/Ti2CO2_CO2Ti2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti3C2/Ti3C2_C2Ti3.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/Ti3C2/Ti3C2_C2Ti3.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti3C2/Ti3C2_C2Ti3.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/Ti3C2/Ti3C2_C2Ti3.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti3C2H2O2/Ti3C2H2O2_C2H2O2Ti3.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/Ti3C2H2O2/Ti3C2H2O2_C2H2O2Ti3.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti3C2H2O2/Ti3C2H2O2_C2H2O2Ti3.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/Ti3C2H2O2/Ti3C2H2O2_C2H2O2Ti3.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti3C2O2/Ti3C2O2_C2O2Ti3.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/Ti3C2O2/Ti3C2O2_C2O2Ti3.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti3C2O2/Ti3C2O2_C2O2Ti3.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/Ti3C2O2/Ti3C2O2_C2O2Ti3.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti4C3/Ti4C3_C3Ti4.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/Ti4C3/Ti4C3_C3Ti4.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti4C3/Ti4C3_C3Ti4.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/Ti4C3/Ti4C3_C3Ti4.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti4C3H2O2/Ti4C3H2O2_C3H2O2Ti4.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/Ti4C3H2O2/Ti4C3H2O2_C3H2O2Ti4.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti4C3H2O2/Ti4C3H2O2_C3H2O2Ti4.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/Ti4C3H2O2/Ti4C3H2O2_C3H2O2Ti4.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti4C3O2/Ti4C3O2_C3O2Ti4.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/Ti4C3O2/Ti4C3O2_C3O2Ti4.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/Ti4C3O2/Ti4C3O2_C3O2Ti4.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/Ti4C3O2/Ti4C3O2_C3O2Ti4.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/TiCl3/TiCl3_Cl6Ti2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/TiCl3/TiCl3_Cl6Ti2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/TiCl3/TiCl3_Cl6Ti2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/TiCl3/TiCl3_Cl6Ti2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/TiS3/TiS3_S6Ti2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/TiS3/TiS3_S6Ti2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/TiS3/TiS3_S6Ti2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/TiS3/TiS3_S6Ti2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/VPSe3/VPSe3_P2Se6V2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/VPSe3/VPSe3_P2Se6V2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/VPSe3/VPSe3_P2Se6V2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/VPSe3/VPSe3_P2Se6V2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/VTe3/VTe3_Te6V2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/VTe3/VTe3_Te6V2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/VTe3/VTe3_Te6V2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/VTe3/VTe3_Te6V2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/WTe2/WTe2_Te4W2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/WTe2/WTe2_Te4W2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/WTe2/WTe2_Te4W2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/WTe2/WTe2_Te4W2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/CrB/CrB.in b/data/arise/single_crystals/PROTOTYPES/Binaries/CrB/CrB.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/CrB/CrB.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/CrB/CrB.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/CsCl/CsCl.in b/data/arise/single_crystals/PROTOTYPES/Binaries/CsCl/CsCl.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/CsCl/CsCl.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/CsCl/CsCl.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/FeB/FeB.in b/data/arise/single_crystals/PROTOTYPES/Binaries/FeB/FeB.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/FeB/FeB.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/FeB/FeB.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/FeSi/FeSi.in b/data/arise/single_crystals/PROTOTYPES/Binaries/FeSi/FeSi.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/FeSi/FeSi.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/FeSi/FeSi.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/L10_CuAu/L10_CuAu.in b/data/arise/single_crystals/PROTOTYPES/Binaries/L10_CuAu/L10_CuAu.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/L10_CuAu/L10_CuAu.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/L10_CuAu/L10_CuAu.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/L12_Cu3Au/L12_Cu3Au.in b/data/arise/single_crystals/PROTOTYPES/Binaries/L12_Cu3Au/L12_Cu3Au.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/L12_Cu3Au/L12_Cu3Au.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/L12_Cu3Au/L12_Cu3Au.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/MnP/MnP.in b/data/arise/single_crystals/PROTOTYPES/Binaries/MnP/MnP.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/MnP/MnP.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/MnP/MnP.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/NiAs/NiAs.in b/data/arise/single_crystals/PROTOTYPES/Binaries/NiAs/NiAs.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/NiAs/NiAs.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/NiAs/NiAs.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/RockSalt_NaCl/RockSalt_NaCl.in b/data/arise/single_crystals/PROTOTYPES/Binaries/RockSalt_NaCl/RockSalt_NaCl.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/RockSalt_NaCl/RockSalt_NaCl.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/RockSalt_NaCl/RockSalt_NaCl.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/Wurtzite_ZnS/Wurtzite_ZnS.in b/data/arise/single_crystals/PROTOTYPES/Binaries/Wurtzite_ZnS/Wurtzite_ZnS.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/Wurtzite_ZnS/Wurtzite_ZnS.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/Wurtzite_ZnS/Wurtzite_ZnS.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Binaries/Zincblende_ZnS/Zincblende_ZnS.in b/data/arise/single_crystals/PROTOTYPES/Binaries/Zincblende_ZnS/Zincblende_ZnS.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Binaries/Zincblende_ZnS/Zincblende_ZnS.in
rename to data/arise/single_crystals/PROTOTYPES/Binaries/Zincblende_ZnS/Zincblende_ZnS.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/BuckledGraphHex_C_A_hP4_186_ab/BuckledGraphHex_C_A_hP4_186_ab.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/BuckledGraphHex_C_A_hP4_186_ab/BuckledGraphHex_C_A_hP4_186_ab.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/BuckledGraphHex_C_A_hP4_186_ab/BuckledGraphHex_C_A_hP4_186_ab.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/BuckledGraphHex_C_A_hP4_186_ab/BuckledGraphHex_C_A_hP4_186_ab.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/HexDiam_C_A_hP4_194_f/HexDiam_C_A_hP4_194_f.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/HexDiam_C_A_hP4_194_f/HexDiam_C_A_hP4_194_f.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/HexDiam_C_A_hP4_194_f/HexDiam_C_A_hP4_194_f.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/HexDiam_C_A_hP4_194_f/HexDiam_C_A_hP4_194_f.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/HexGraph_C_A_hP4_194_bc/HexGraph_C_A_hP4_194_bc.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/HexGraph_C_A_hP4_194_bc/HexGraph_C_A_hP4_194_bc.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/HexGraph_C_A_hP4_194_bc/HexGraph_C_A_hP4_194_bc.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/HexGraph_C_A_hP4_194_bc/HexGraph_C_A_hP4_194_bc.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/basecorthAlphaGa_Ga_A_oC8_64_f/basecorthAlphaGa_Ga_A_oC8_64_f.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/basecorthAlphaGa_Ga_A_oC8_64_f/basecorthAlphaGa_Ga_A_oC8_64_f.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/basecorthAlphaGa_Ga_A_oC8_64_f/basecorthAlphaGa_Ga_A_oC8_64_f.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/basecorthAlphaGa_Ga_A_oC8_64_f/basecorthAlphaGa_Ga_A_oC8_64_f.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/basecorthAlphaU_U_A_oC4_63_c/basecorthAlphaU_U_A_oC4_63_c.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/basecorthAlphaU_U_A_oC4_63_c/basecorthAlphaU_U_A_oC4_63_c.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/basecorthAlphaU_U_A_oC4_63_c/basecorthAlphaU_U_A_oC4_63_c.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/basecorthAlphaU_U_A_oC4_63_c/basecorthAlphaU_U_A_oC4_63_c.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/basecorthBlackP_P_A_oC8_64_f/basecorthBlackP_P_A_oC8_64_f.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/basecorthBlackP_P_A_oC8_64_f/basecorthBlackP_P_A_oC8_64_f.in
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diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/bcc_W_A_cI2_229_a/bcc_W_A_cI2_229_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/bcc_W_A_cI2_229_a/bcc_W_A_cI2_229_a.in
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_100.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_100.npy
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_1000.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_1000.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_25.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_25.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_250.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_250.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_50.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_50.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_100.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_100.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_1000.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_1000.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_25.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_25.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_250.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_250.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_50.npy b/data/arise/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_50.npy
similarity index 100%
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diff --git a/data/ARISE/unsupervised_learning/uncertainty_filtered_mutual_information.npy b/data/arise/unsupervised_learning/uncertainty_filtered_mutual_information.npy
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