From 09b0dc0a8b9794cf23c4150ccf529b80c5a9a871 Mon Sep 17 00:00:00 2001
From: sbailo <sbailo@fhi-berlin.mpg.de>
Date: Thu, 11 Nov 2021 19:29:53 +0100
Subject: [PATCH] Add autogenerated header
Refactor ARISE into arise
---
ARISE.ipynb | 47 ++++++------------
assets/{ARISE => arise}/ARISE_logo.svg | 0
.../concept_figure_global.svg | 0
.../{ARISE => arise}/concept_figure_local.svg | 0
.../cs_classification_first_example.svg | 0
.../Logo_MPG.png => arise/logo_MPG.png} | Bin
.../Logo_NOMAD.png => arise/logo_NOMAD.png} | Bin
...lycrystals_figure_results_mono_species.svg | Bin
.../calculations/BN_bulk_predictions.npy | Bin
.../calculations/BN_bulk_uncertainty.pkl | 0
.../calculations/Benzene_predictions.npy | Bin
.../calculations/Benzene_uncertainty.pkl | 0
.../calculations/Cementite_predictions.npy | Bin
.../calculations/Cementite_uncertainty.pkl | 0
.../calculations/CuTi3_predictions.npy | Bin
.../calculations/CuTi3_uncertainty.pkl | 0
.../calculations/K2PtCl6_predictions.npy | Bin
.../calculations/K2PtCl6_uncertainty.pkl | 0
.../calculations/L12_Cu3Au_predictions.npy | Bin
.../calculations/L12_Cu3Au_uncertainty.pkl | 0
.../Moissanite_4H_predictions.npy | Bin
.../Moissanite_4H_uncertainty.pkl | 0
.../calculations/NOMAD_P1_predictions.npy | Bin
.../calculations/NOMAD_P1_uncertainty.pkl | 0
.../calculations/NbO_predictions.npy | Bin
.../calculations/NbO_uncertainty.pkl | 0
.../calculations/Rutile_predictions.npy | Bin
.../calculations/Rutile_uncertainty.pkl | 0
.../calculations/TC_predictions.npy | Bin
.../calculations/TC_uncertainty.pkl | 0
.../Zincblende_ZnS_predictions.npy | Bin
.../Zincblende_ZnS_uncertainty.pkl | 0
.../calculations/selected_structure.in | 0
.../calculations/tmp_folder/output.log | Bin
.../calculations/top_n_labels.npy | Bin
.../calculations/top_n_labels.pkl | 0
...trihex_gammaSe_A_hP3_152_a_predictions.npy | Bin
...trihex_gammaSe_A_hP3_152_a_uncertainty.pkl | 0
.../four_grains_stride_15.0_box_16.0_.tar.gz | Bin
.../nn_model/AI_SYM_Leitherer_et_al_2021.h5 | Bin
.../{ARISE => arise}/nn_model/class_info.json | 0
.../four_grains_elemental_solid.xyz | 0
.../saved_soap_descriptors/RockSalt_NaCl.npy | Bin
.../bcc_W_A_cI2_229_a.npy | Bin
.../fcc_Cu_A_cF4_225_a.npy | Bin
.../fcc_Cu_A_cF4_225_a_bcc_W_A_cI2_229_a.npy | Bin
.../2D_materials/AgBr3/AgBr3_Ag2Br6.in | 0
.../2D_materials/AuSe/AuSe_Au2Se2.in | 0
.../PROTOTYPES/2D_materials/BN/BN_BN.in | 0
.../2D_materials/BiI3/BiI3_Bi2I6.in | 0
.../2D_materials/BiTeI/BiTeI_BiITe.in | 0
.../PROTOTYPES/2D_materials/C/C_C2.in | 0
.../PROTOTYPES/2D_materials/C3N/C3N_C6N2.in | 0
.../PROTOTYPES/2D_materials/CH/CH_C2H2.in | 0
.../2D_materials/CH2Si/CH2Si_CH2Si.in | 0
.../PROTOTYPES/2D_materials/CdI2/CdI2_CdI2.in | 0
.../2D_materials/CrW3S8/CrW3S8_CrS8W3.in | 0
.../2D_materials/CrWS4/CrWS4_Cr2S8W2.in | 0
.../2D_materials/FeOCl/FeOCl_Cl2Fe2O2.in | 0
.../2D_materials/FeSe/FeSe_Fe2Se2.in | 0
.../PROTOTYPES/2D_materials/GaS/GaS_Ga2S2.in | 0
.../2D_materials/GaSe/GaSe_Ga2Se2.in | 0
.../PROTOTYPES/2D_materials/GeS2/GeS2_GeS2.in | 0
.../PROTOTYPES/2D_materials/GeSe/GeSe_GeSe.in | 0
.../2D_materials/HfBrS/HfBrS_Br4Hf4S4.in | 0
.../2D_materials/MnPSe3/MnPSe3_Mn2P2Se6.in | 0
.../2D_materials/MnS2/MnS2_Mn2S4.in | 0
.../PROTOTYPES/2D_materials/MoS2/MoS2_MoS2.in | 0
.../2D_materials/MoSSe/MoSSe_MoSSe.in | 0
.../2D_materials/NiSe/NiSe_Ni2Se2.in | 0
.../PROTOTYPES/2D_materials/P/P_P4.in | 0
.../PbA2I4/PbA2I4_C16H48Br4Cl4Ge2N4.in | 0
.../PROTOTYPES/2D_materials/PbS/PbS_Pb2S2.in | 0
.../2D_materials/PbSe/PbSe_Pb2Se2.in | 0
.../2D_materials/PdS2/PdS2_Pd2S4.in | 0
.../2D_materials/ReS2/ReS2_Re4S8.in | 0
.../PROTOTYPES/2D_materials/RhO/RhO_O2Rh2.in | 0
.../2D_materials/ScPSe3/ScPSe3_P2Sc2Se6.in | 0
.../PROTOTYPES/2D_materials/SnS/SnS_S2Sn2.in | 0
.../Ti2CH2O2/Ti2CH2O2_CH2O2Ti2.in | 0
.../2D_materials/Ti2CO2/Ti2CO2_CO2Ti2.in | 0
.../2D_materials/Ti3C2/Ti3C2_C2Ti3.in | 0
.../Ti3C2H2O2/Ti3C2H2O2_C2H2O2Ti3.in | 0
.../2D_materials/Ti3C2O2/Ti3C2O2_C2O2Ti3.in | 0
.../2D_materials/Ti4C3/Ti4C3_C3Ti4.in | 0
.../Ti4C3H2O2/Ti4C3H2O2_C3H2O2Ti4.in | 0
.../2D_materials/Ti4C3O2/Ti4C3O2_C3O2Ti4.in | 0
.../2D_materials/TiCl3/TiCl3_Cl6Ti2.in | 0
.../2D_materials/TiS3/TiS3_S6Ti2.in | 0
.../2D_materials/VPSe3/VPSe3_P2Se6V2.in | 0
.../2D_materials/VTe3/VTe3_Te6V2.in | 0
.../2D_materials/WTe2/WTe2_Te4W2.in | 0
.../PROTOTYPES/Binaries/CrB/CrB.in | 0
.../PROTOTYPES/Binaries/CsCl/CsCl.in | 0
.../PROTOTYPES/Binaries/FeB/FeB.in | 0
.../PROTOTYPES/Binaries/FeSi/FeSi.in | 0
.../PROTOTYPES/Binaries/L10_CuAu/L10_CuAu.in | 0
.../Binaries/L12_Cu3Au/L12_Cu3Au.in | 0
.../PROTOTYPES/Binaries/MnP/MnP.in | 0
.../PROTOTYPES/Binaries/NiAs/NiAs.in | 0
.../Binaries/RockSalt_NaCl/RockSalt_NaCl.in | 0
.../Binaries/Wurtzite_ZnS/Wurtzite_ZnS.in | 0
.../Binaries/Zincblende_ZnS/Zincblende_ZnS.in | 0
.../BuckledGraphHex_C_A_hP4_186_ab.in | 0
.../HexDiam_C_A_hP4_194_f.in | 0
.../HexGraph_C_A_hP4_194_bc.in | 0
.../basecorthAlphaGa_Ga_A_oC8_64_f.in | 0
.../basecorthAlphaU_U_A_oC4_63_c.in | 0
.../basecorthBlackP_P_A_oC8_64_f.in | 0
.../basecorthMolIod_I_A_oC8_64_f.in | 0
.../bcc_W_A_cI2_229_a/bcc_W_A_cI2_229_a.in | 0
.../bctAlphaPa_Pa_A_tI2_139_a.in | 0
.../bctBetaSn_Sn_A_tI4_141_a.in | 0
.../bctIn_In_A_tI2_139_a.in | 0
.../dhcp_alphaLa_A_hP4_194_ac.in | 0
.../diam_C_A_cF8_227_a/diam_C_A_cF8_227_a.in | 0
.../facecorthGammaPu_Pu_A_oF8_70_a.in | 0
.../fcc_Cu_A_cF4_225_a/fcc_Cu_A_cF4_225_a.in | 0
.../hcp_Mg_A_hP2_194_c/hcp_Mg_A_hP2_194_c.in | 0
.../rhombAlphaAs_As_A_hR2_166_c.in | 0
.../rhombAlphaHg_Hg_A_hR1_166_a.in | 0
.../rhombAlphaSm_Sm_A_hR3_166_ac.in | 0
.../rhombBetaO_O_A_hR2_166_c.in | 0
.../rhombBetaPo_Po_A_hR1_166_a.in | 0
.../rhombGraph_C_A_hR2_166_c.in | 0
.../sc_alphaPo_A_cP1_221_a.in | 0
.../shex_Sn_A_hP1_191_a.in | 0
.../stetBetaNp_Np_A_tP4_129_ac.in | 0
.../stetGammaN_N_A_tP4_136_f.in | 0
.../trihex_gammaSe_A_hP3_152_a.in | 0
.../armchair_cnt_nm_3_3_30.0_4.07.in | 0
.../armchair_cnt_nm_4_4_30.0_5.42.in | 0
.../chiral_cnt_nm_4_2_19.11_4.14.in | 0
.../chiral_cnt_nm_4_3_25.28_4.76.in | 0
.../chiral_cnt_nm_5_1_8.95_4.36.in | 0
.../chiral_cnt_nm_5_2_16.1_4.89.in | 0
.../chiral_cnt_nm_5_3_21.79_5.48.in | 0
.../chiral_cnt_nm_6_1_7.59_5.13.in | 0
.../chiral_cnt_nm_6_2_13.9_5.65.in | 0
.../chiral_cnt_nm_7_1_6.59_5.91.in | 0
.../zigzag_cnt_nm_6_0_0.0_4.7.in | 0
.../zigzag_cnt_nm_7_0_0.0_5.48.in | 0
.../Cu2BaGeSe4/Cu2BaGeSe4_Ba3Cu6Ge3Se12.in | 0
.../Cu2CdGeS4/Cu2CdGeS4_Cd2Cu4Ge2S8.in | 0
.../Cu2CdSnS4/Cu2CdSnS4_Cd2Cu4S8Sn2.in | 0
.../Cu2KVS4/Cu2KVS4_Cu8K4S16V4.in | 0
.../Cu2ZnSiS4/Cu2ZnSiS4_Cu4S8Si2Zn2.in | 0
.../Cu2ZnSnS4/Cu2ZnSnS4_Cu4S8Sn2Zn2.in | 0
.../Ternaries/24_RP/24_RP_Cs4O8W2.in | 0
.../Ternaries/327_RP/327_RP_Ca6Ge4O14.in | 0
.../Ternaries/3_cubic/3_cubic_AgNbO3.in | 0
.../3_halides_cubic/3_halides_cubic_CsI3Sn.in | 0
.../3_halides_orthorhombic_Cl12Cs4Sn4.in | 0
.../3_halides_tetragonal_Cl12Cs4Sn4.in | 0
.../single_crystals/convert_txt_to_in.py | 0
.../exploration_examples/BN_bulk.in | 0
.../exploration_examples/Benzene.in | 0
.../exploration_examples/Cementite.in | 0
.../exploration_examples/CuTi3.in | 0
.../exploration_examples/Fluorite.in | 0
.../exploration_examples/K2PtCl6.in | 0
.../exploration_examples/LiNbO.in | 0
.../exploration_examples/Moissanite_4H.in | 0
.../exploration_examples/NOMAD_P1.in | 0
.../exploration_examples/NbO.in | 0
.../exploration_examples/Rutile.in | 0
.../exploration_examples/Si34clathrate.in | 0
.../exploration_examples/Si46clathrate.in | 0
.../exploration_examples/TC.in | 0
.../ARISE_argmax_predictions_crystal_map.npy | Bin
.../ARISE_mutual_information_crystal_map.npy | Bin
.../ARISE_predictions.json | 0
.../ARISE_predictions.npy | Bin
.../ARISE_predictions.pkl | Bin
...alysis_argmax_clustering_min_csize_100.npy | Bin
...lysis_argmax_clustering_min_csize_1000.npy | Bin
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rename data/{ARISE => arise}/unsupervised_learning/four_grains_elemental_solid.xyz_stride_1.0_1.0_16.0_box_size_16.0_.tar.gz__soap_mincsize_50_nneighbors_50_argmax_clustering.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/four_grains_elemental_solid.xyz_stride_1.0_1.0_16.0_box_size_16.0_.tar.gz__soap_mincsize_50_nneighbors_50_argmax_preds.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/four_grains_elemental_solid.xyz_stride_1.0_1.0_16.0_box_size_16.0_.tar.gz__soap_mincsize_50_nneighbors_50_cluster_labels.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/four_grains_elemental_solid.xyz_stride_1.0_1.0_16.0_box_size_16.0_.tar.gz__soap_mincsize_50_nneighbors_50_embedding.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/four_grains_elemental_solid.xyz_stride_1.0_1.0_16.0_box_size_16.0_.tar.gz__soap_mincsize_50_nneighbors_50_mutual_information.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/four_grains_elemental_solid.xyz_stride_1.0_1.0_16.0_box_size_16.0_.tar.gz__soap_mincsize_50_nneighbors_50_spm.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_1000_cluster_analysis_argmax_clustering_min_csize_100.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_1000_cluster_analysis_argmax_clustering_min_csize_1000.npy (100%)
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rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_1000_cluster_analysis_argmax_clustering_min_csize_50.npy (100%)
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rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_1000_cluster_analysis_cluster_labels_min_csize_1000.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_1000_cluster_analysis_cluster_labels_min_csize_25.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_1000_cluster_analysis_cluster_labels_min_csize_250.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_1000_cluster_analysis_cluster_labels_min_csize_50.npy (100%)
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rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_100_cluster_analysis_argmax_clustering_min_csize_1000.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_100_cluster_analysis_argmax_clustering_min_csize_25.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_100_cluster_analysis_argmax_clustering_min_csize_250.npy (100%)
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rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_100_cluster_analysis_cluster_labels_min_csize_100.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_100_cluster_analysis_cluster_labels_min_csize_1000.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_100_cluster_analysis_cluster_labels_min_csize_25.npy (100%)
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rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_250_cluster_analysis_argmax_clustering_min_csize_250.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_250_cluster_analysis_argmax_clustering_min_csize_50.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_250_cluster_analysis_cluster_labels_min_csize_100.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_250_cluster_analysis_cluster_labels_min_csize_1000.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_250_cluster_analysis_cluster_labels_min_csize_25.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_250_cluster_analysis_cluster_labels_min_csize_250.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_250_cluster_analysis_cluster_labels_min_csize_50.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_argmax_clustering_min_csize_100.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_argmax_clustering_min_csize_1000.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_argmax_clustering_min_csize_25.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_argmax_clustering_min_csize_250.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_argmax_clustering_min_csize_50.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_cluster_labels_min_csize_100.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_cluster_labels_min_csize_1000.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_cluster_labels_min_csize_25.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_cluster_labels_min_csize_250.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_25_cluster_analysis_cluster_labels_min_csize_50.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_100.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_1000.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_25.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_250.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_argmax_clustering_min_csize_50.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_100.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_1000.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_25.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_250.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/soap_neighbors_50_cluster_analysis_cluster_labels_min_csize_50.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/uncertainty_filtered_mutual_information.npy (100%)
rename data/{ARISE => arise}/unsupervised_learning/uncertainty_filtered_mutual_information.pkl (100%)
rename data/{ARISE => arise}/unsupervised_learning/uncertainty_filtered_predictive_entropy.pkl (100%)
rename data/{ARISE => arise}/unsupervised_learning/uncertainty_filtered_variation_ratio.pkl (100%)
diff --git a/ARISE.ipynb b/ARISE.ipynb
index 70be287..6f6c0a5 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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similarity index 100%
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rename to data/arise/saved_soap_descriptors/RockSalt_NaCl.npy
diff --git a/data/ARISE/saved_soap_descriptors/bcc_W_A_cI2_229_a.npy b/data/arise/saved_soap_descriptors/bcc_W_A_cI2_229_a.npy
similarity index 100%
rename from data/ARISE/saved_soap_descriptors/bcc_W_A_cI2_229_a.npy
rename to data/arise/saved_soap_descriptors/bcc_W_A_cI2_229_a.npy
diff --git a/data/ARISE/saved_soap_descriptors/fcc_Cu_A_cF4_225_a.npy b/data/arise/saved_soap_descriptors/fcc_Cu_A_cF4_225_a.npy
similarity index 100%
rename from data/ARISE/saved_soap_descriptors/fcc_Cu_A_cF4_225_a.npy
rename to data/arise/saved_soap_descriptors/fcc_Cu_A_cF4_225_a.npy
diff --git a/data/ARISE/saved_soap_descriptors/fcc_Cu_A_cF4_225_a_bcc_W_A_cI2_229_a.npy b/data/arise/saved_soap_descriptors/fcc_Cu_A_cF4_225_a_bcc_W_A_cI2_229_a.npy
similarity index 100%
rename from data/ARISE/saved_soap_descriptors/fcc_Cu_A_cF4_225_a_bcc_W_A_cI2_229_a.npy
rename to data/arise/saved_soap_descriptors/fcc_Cu_A_cF4_225_a_bcc_W_A_cI2_229_a.npy
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/AgBr3/AgBr3_Ag2Br6.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/AgBr3/AgBr3_Ag2Br6.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/AgBr3/AgBr3_Ag2Br6.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/AgBr3/AgBr3_Ag2Br6.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/AuSe/AuSe_Au2Se2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/AuSe/AuSe_Au2Se2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/AuSe/AuSe_Au2Se2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/AuSe/AuSe_Au2Se2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/BN/BN_BN.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/BN/BN_BN.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/BN/BN_BN.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/BN/BN_BN.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/BiI3/BiI3_Bi2I6.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/BiI3/BiI3_Bi2I6.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/BiI3/BiI3_Bi2I6.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/BiI3/BiI3_Bi2I6.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/BiTeI/BiTeI_BiITe.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/BiTeI/BiTeI_BiITe.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/BiTeI/BiTeI_BiITe.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/BiTeI/BiTeI_BiITe.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/C/C_C2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/C/C_C2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/C/C_C2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/C/C_C2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/C3N/C3N_C6N2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/C3N/C3N_C6N2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/C3N/C3N_C6N2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/C3N/C3N_C6N2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/CH/CH_C2H2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/CH/CH_C2H2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/CH/CH_C2H2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/CH/CH_C2H2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/CH2Si/CH2Si_CH2Si.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/CH2Si/CH2Si_CH2Si.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/CH2Si/CH2Si_CH2Si.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/CH2Si/CH2Si_CH2Si.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/CdI2/CdI2_CdI2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/CdI2/CdI2_CdI2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/CdI2/CdI2_CdI2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/CdI2/CdI2_CdI2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/CrW3S8/CrW3S8_CrS8W3.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/CrW3S8/CrW3S8_CrS8W3.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/CrW3S8/CrW3S8_CrS8W3.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/CrW3S8/CrW3S8_CrS8W3.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/CrWS4/CrWS4_Cr2S8W2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/CrWS4/CrWS4_Cr2S8W2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/CrWS4/CrWS4_Cr2S8W2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/CrWS4/CrWS4_Cr2S8W2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/FeOCl/FeOCl_Cl2Fe2O2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/FeOCl/FeOCl_Cl2Fe2O2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/FeOCl/FeOCl_Cl2Fe2O2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/FeOCl/FeOCl_Cl2Fe2O2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/FeSe/FeSe_Fe2Se2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/FeSe/FeSe_Fe2Se2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/FeSe/FeSe_Fe2Se2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/FeSe/FeSe_Fe2Se2.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/2D_materials/GaS/GaS_Ga2S2.in b/data/arise/single_crystals/PROTOTYPES/2D_materials/GaS/GaS_Ga2S2.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/2D_materials/GaS/GaS_Ga2S2.in
rename to data/arise/single_crystals/PROTOTYPES/2D_materials/GaS/GaS_Ga2S2.in
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
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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
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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%
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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%
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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%
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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
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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
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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
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/basecorthBlackP_P_A_oC8_64_f/basecorthBlackP_P_A_oC8_64_f.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/basecorthBlackP_P_A_oC8_64_f/basecorthBlackP_P_A_oC8_64_f.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/basecorthMolIod_I_A_oC8_64_f/basecorthMolIod_I_A_oC8_64_f.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/basecorthMolIod_I_A_oC8_64_f/basecorthMolIod_I_A_oC8_64_f.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/basecorthMolIod_I_A_oC8_64_f/basecorthMolIod_I_A_oC8_64_f.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/basecorthMolIod_I_A_oC8_64_f/basecorthMolIod_I_A_oC8_64_f.in
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
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/bcc_W_A_cI2_229_a/bcc_W_A_cI2_229_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/bcc_W_A_cI2_229_a/bcc_W_A_cI2_229_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/bctAlphaPa_Pa_A_tI2_139_a/bctAlphaPa_Pa_A_tI2_139_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/bctAlphaPa_Pa_A_tI2_139_a/bctAlphaPa_Pa_A_tI2_139_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/bctAlphaPa_Pa_A_tI2_139_a/bctAlphaPa_Pa_A_tI2_139_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/bctAlphaPa_Pa_A_tI2_139_a/bctAlphaPa_Pa_A_tI2_139_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/bctBetaSn_Sn_A_tI4_141_a/bctBetaSn_Sn_A_tI4_141_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/bctBetaSn_Sn_A_tI4_141_a/bctBetaSn_Sn_A_tI4_141_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/bctBetaSn_Sn_A_tI4_141_a/bctBetaSn_Sn_A_tI4_141_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/bctBetaSn_Sn_A_tI4_141_a/bctBetaSn_Sn_A_tI4_141_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/bctIn_In_A_tI2_139_a/bctIn_In_A_tI2_139_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/bctIn_In_A_tI2_139_a/bctIn_In_A_tI2_139_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/bctIn_In_A_tI2_139_a/bctIn_In_A_tI2_139_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/bctIn_In_A_tI2_139_a/bctIn_In_A_tI2_139_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/dhcp_alphaLa_A_hP4_194_ac/dhcp_alphaLa_A_hP4_194_ac.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/dhcp_alphaLa_A_hP4_194_ac/dhcp_alphaLa_A_hP4_194_ac.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/dhcp_alphaLa_A_hP4_194_ac/dhcp_alphaLa_A_hP4_194_ac.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/dhcp_alphaLa_A_hP4_194_ac/dhcp_alphaLa_A_hP4_194_ac.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/diam_C_A_cF8_227_a/diam_C_A_cF8_227_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/diam_C_A_cF8_227_a/diam_C_A_cF8_227_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/diam_C_A_cF8_227_a/diam_C_A_cF8_227_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/diam_C_A_cF8_227_a/diam_C_A_cF8_227_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/facecorthGammaPu_Pu_A_oF8_70_a/facecorthGammaPu_Pu_A_oF8_70_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/facecorthGammaPu_Pu_A_oF8_70_a/facecorthGammaPu_Pu_A_oF8_70_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/facecorthGammaPu_Pu_A_oF8_70_a/facecorthGammaPu_Pu_A_oF8_70_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/facecorthGammaPu_Pu_A_oF8_70_a/facecorthGammaPu_Pu_A_oF8_70_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/fcc_Cu_A_cF4_225_a/fcc_Cu_A_cF4_225_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/fcc_Cu_A_cF4_225_a/fcc_Cu_A_cF4_225_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/fcc_Cu_A_cF4_225_a/fcc_Cu_A_cF4_225_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/fcc_Cu_A_cF4_225_a/fcc_Cu_A_cF4_225_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/hcp_Mg_A_hP2_194_c/hcp_Mg_A_hP2_194_c.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/hcp_Mg_A_hP2_194_c/hcp_Mg_A_hP2_194_c.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/hcp_Mg_A_hP2_194_c/hcp_Mg_A_hP2_194_c.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/hcp_Mg_A_hP2_194_c/hcp_Mg_A_hP2_194_c.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaAs_As_A_hR2_166_c/rhombAlphaAs_As_A_hR2_166_c.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaAs_As_A_hR2_166_c/rhombAlphaAs_As_A_hR2_166_c.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaAs_As_A_hR2_166_c/rhombAlphaAs_As_A_hR2_166_c.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaAs_As_A_hR2_166_c/rhombAlphaAs_As_A_hR2_166_c.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaHg_Hg_A_hR1_166_a/rhombAlphaHg_Hg_A_hR1_166_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaHg_Hg_A_hR1_166_a/rhombAlphaHg_Hg_A_hR1_166_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaHg_Hg_A_hR1_166_a/rhombAlphaHg_Hg_A_hR1_166_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaHg_Hg_A_hR1_166_a/rhombAlphaHg_Hg_A_hR1_166_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaSm_Sm_A_hR3_166_ac/rhombAlphaSm_Sm_A_hR3_166_ac.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaSm_Sm_A_hR3_166_ac/rhombAlphaSm_Sm_A_hR3_166_ac.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaSm_Sm_A_hR3_166_ac/rhombAlphaSm_Sm_A_hR3_166_ac.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombAlphaSm_Sm_A_hR3_166_ac/rhombAlphaSm_Sm_A_hR3_166_ac.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombBetaO_O_A_hR2_166_c/rhombBetaO_O_A_hR2_166_c.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombBetaO_O_A_hR2_166_c/rhombBetaO_O_A_hR2_166_c.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombBetaO_O_A_hR2_166_c/rhombBetaO_O_A_hR2_166_c.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombBetaO_O_A_hR2_166_c/rhombBetaO_O_A_hR2_166_c.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombBetaPo_Po_A_hR1_166_a/rhombBetaPo_Po_A_hR1_166_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombBetaPo_Po_A_hR1_166_a/rhombBetaPo_Po_A_hR1_166_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombBetaPo_Po_A_hR1_166_a/rhombBetaPo_Po_A_hR1_166_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombBetaPo_Po_A_hR1_166_a/rhombBetaPo_Po_A_hR1_166_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombGraph_C_A_hR2_166_c/rhombGraph_C_A_hR2_166_c.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombGraph_C_A_hR2_166_c/rhombGraph_C_A_hR2_166_c.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/rhombGraph_C_A_hR2_166_c/rhombGraph_C_A_hR2_166_c.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/rhombGraph_C_A_hR2_166_c/rhombGraph_C_A_hR2_166_c.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/sc_alphaPo_A_cP1_221_a/sc_alphaPo_A_cP1_221_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/sc_alphaPo_A_cP1_221_a/sc_alphaPo_A_cP1_221_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/sc_alphaPo_A_cP1_221_a/sc_alphaPo_A_cP1_221_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/sc_alphaPo_A_cP1_221_a/sc_alphaPo_A_cP1_221_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/shex_Sn_A_hP1_191_a/shex_Sn_A_hP1_191_a.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/shex_Sn_A_hP1_191_a/shex_Sn_A_hP1_191_a.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/shex_Sn_A_hP1_191_a/shex_Sn_A_hP1_191_a.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/shex_Sn_A_hP1_191_a/shex_Sn_A_hP1_191_a.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/stetBetaNp_Np_A_tP4_129_ac/stetBetaNp_Np_A_tP4_129_ac.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/stetBetaNp_Np_A_tP4_129_ac/stetBetaNp_Np_A_tP4_129_ac.in
similarity index 100%
rename from data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/stetBetaNp_Np_A_tP4_129_ac/stetBetaNp_Np_A_tP4_129_ac.in
rename to data/arise/single_crystals/PROTOTYPES/Elemental_solids/stetBetaNp_Np_A_tP4_129_ac/stetBetaNp_Np_A_tP4_129_ac.in
diff --git a/data/ARISE/single_crystals/PROTOTYPES/Elemental_solids/stetGammaN_N_A_tP4_136_f/stetGammaN_N_A_tP4_136_f.in b/data/arise/single_crystals/PROTOTYPES/Elemental_solids/stetGammaN_N_A_tP4_136_f/stetGammaN_N_A_tP4_136_f.in
similarity index 100%
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