surface_name	site_name	species_name	formation_energy	bulk_structure	frequencies	other_parameters	reference
None	gas	pe	0.	None	[]	[]	gas phase calcs
None	gas	CO	0.0	None	[2188.22654838]	[]	gas phase calcs
None	gas	CO2	-0.430389692887	None	[2455.34829065,1344.99995377,631.378321426,627.504706294]	[]	gas phase calcs
None	gas	H2O	0.0	None	[3950.66147227,3834.50307382,1570.73801788]	[]	gas phase calcs
None	gas	H2	0.0	None	[4424.26845539]	[]	gas phase calcs
None	gas	HCOOH	-0.689598592126	None	[3801.05302786,2925.38123803,1849.62420334,1361.46084776,1211.3814598,1079.82678557,972.746648599,632.977114495,520.239596002]	[]	gas phase calcs
Au	111	COOH	0.079	fcc	[3594.39393202,1516.07009303,1263.21231121,1106.87483637,682.514445937,660.533899876,371.791612486,272.976096226,199.480649942,150.783967618,144.9765506,102.72087726]	[]	my ads calcs
Au	111	CO	-0.045	fcc	[2101.86885365,305.752713878,274.740032059,242.818714761,98.5959044546,72.5292198699]	[]	my ads calcs
Au	111	OH	1.426	fcc	[3840.25959628,678.44875514,544.71137268,381.95253164,303.596138974,120.579394793]	[]	my ads calcs
Au	111	O	2.652	fcc	[441.491215713,399.459280662,316.992048019]	[]	my ads calcs
Au	111	H	0.271	fcc	[1041.56374618,895.13059802,651.876743135]	[]	my ads calcs
Au	111	OCHO	-0.062	fcc	[2984.76317729,1586.29833133,1351.55812766,1336.90971856,998.1102302,734.313456367,301.303437416,291.925894675,275.66986242,110.108981193,71.2675600817,20.5622614401]	[]	my ads calcs
Au	111	COO-pe	0.279	fcc	[]	[]	my ads calcs
Au	111	pe-H	0.971	fcc	[]	[]	my ads calcs
Au	111	OC-peO	0.738	fcc	[]	[]	my ads calcs
Au	111	HCOO-pe	0.138	fcc	[]	[]	my ads calcs
Au	111	O-pe	2.852	fcc	[]	[]	my ads calcs
Au	111	pe-OH	1.726	fcc	[]	[]	my ads calcs
Au	111	COOH-pe	0.579	fcc	[]	[]	my ads calcs
Au	111	H-H	1.1	fcc	[]	[]	CatApp
Ag	111	COOH	0.195	fcc	[3594.39393202,1516.07009303,1263.21231121,1106.87483637,682.514445937,660.533899876,371.791612486,272.976096226,199.480649942,150.783967618,144.9765506,102.72087726]	[]	my ads calcs
Ag	111	CO	-0.005	fcc	[2101.86885365,305.752713878,274.740032059,242.818714761,98.5959044546,72.5292198699]	[]	my ads calcs
Ag	111	OH	0.697	fcc	[3840.25959628,678.44875514,544.71137268,381.95253164,303.596138974,120.579394793]	[]	my ads calcs
Ag	111	O	2.164	fcc	[441.491215713,399.459280662,316.992048019]	[]	my ads calcs
Ag	111	H	0.309	fcc	[1041.56374618,895.13059802,651.876743135]	[]	my ads calcs
Ag	111	OCHO	-0.695	fcc	[2984.76317729,1586.29833133,1351.55812766,1336.90971856,998.1102302,734.313456367,301.303437416,291.925894675,275.66986242,110.108981193,71.2675600817,20.5622614401]	[]	my ads calcs
Ag	111	COO-pe	0.395	fcc	[]	[]	my ads calcs
Ag	111	pe-H	1.009	fcc	[]	[]	my ads calcs
Ag	111	OC-peO	0.369610307113	fcc	[]	[]	my ads calcs
Ag	111	HCOO-pe	-0.489598592126	fcc	[]	[]	my ads calcs
Ag	111	O-pe	2.364	fcc	[]	[]	my ads calcs
Ag	111	pe-OH	0.997	fcc	[]	[]	my ads calcs
Ag	111	COOH-pe	0.695	fcc	[]	[]	my ads calcs
Ag	111	H-H	1.0	fcc	[]	[]	CatApp
Cu	111	COOH	-0.112	fcc	[3594.39393202,1516.07009303,1263.21231121,1106.87483637,682.514445937,660.533899876,371.791612486,272.976096226,199.480649942,150.783967618,144.9765506,102.72087726]	[]	my ads calcs
Cu	111	CO	-0.546	fcc	[2101.86885365,305.752713878,274.740032059,242.818714761,98.5959044546,72.5292198699]	[]	my ads calcs
Cu	111	OH	0.31	fcc	[3840.25959628,678.44875514,544.71137268,381.95253164,303.596138974,120.579394793]	[]	my ads calcs
Cu	111	O	1.163	fcc	[441.491215713,399.459280662,316.992048019]	[]	my ads calcs
Cu	111	H	-0.052	fcc	[1041.56374618,895.13059802,651.876743135]	[]	my ads calcs
Cu	111	OCHO	-0.961	fcc	[2984.76317729,1586.29833133,1351.55812766,1336.90971856,998.1102302,734.313456367,301.303437416,291.925894675,275.66986242,110.108981193,71.2675600817,20.5622614401]	[]	my ads calcs
Cu	111	COO-pe	0.088	fcc	[]	[]	my ads calcs
Cu	111	pe-H	0.7	fcc	[]	[]	my ads calcs
Cu	111	OC-peO	0.369610307113	fcc	[]	[]	my ads calcs
Cu	111	HCOO-pe	-0.489598592126	fcc	[]	[]	my ads calcs
Cu	111	O-pe	1.363	fcc	[]	[]	my ads calcs
Cu	111	pe-OH	0.61	fcc	[]	[]	my ads calcs
Cu	111	COOH-pe	0.388	fcc	[]	[]	my ads calcs
Cu	111	H-H	0.63	fcc	[]	[]	CatApp
Rh	111	COOH	-0.995	fcc	[3594.39393202,1516.07009303,1263.21231121,1106.87483637,682.514445937,660.533899876,371.791612486,272.976096226,199.480649942,150.783967618,144.9765506,102.72087726]	[]	my ads calcs
Rh	111	CO	-1.762	fcc	[2101.86885365,305.752713878,274.740032059,242.818714761,98.5959044546,72.5292198699]	[]	my ads calcs
Rh	111	OH	0.365	fcc	[3840.25959628,678.44875514,544.71137268,381.95253164,303.596138974,120.579394793]	[]	my ads calcs
Rh	111	O	0.558	fcc	[441.491215713,399.459280662,316.992048019]	[]	my ads calcs
Rh	111	H	-0.403	fcc	[1041.56374618,895.13059802,651.876743135]	[]	my ads calcs
Rh	111	OCHO	-1.141	fcc	[2984.76317729,1586.29833133,1351.55812766,1336.90971856,998.1102302,734.313456367,301.303437416,291.925894675,275.66986242,110.108981193,71.2675600817,20.5622614401]	[]	my ads calcs
Rh	111	COO-pe	-0.230389692887	fcc	[]	[]	my ads calcs
Rh	111	pe-H	0.7	fcc	[]	[]	my ads calcs
Rh	111	OC-peO	0.369610307113	fcc	[]	[]	my ads calcs
Rh	111	HCOO-pe	-0.489598592126	fcc	[]	[]	my ads calcs
Rh	111	O-pe	0.758	fcc	[]	[]	my ads calcs
Rh	111	pe-OH	0.665	fcc	[]	[]	my ads calcs
Rh	111	COOH-pe	-0.495	fcc	[]	[]	my ads calcs
Rh	111	H-H	0.25	fcc	[]	[]	CatApp
Ni	111	COOH	-0.612	fcc	[3594.39393202,1516.07009303,1263.21231121,1106.87483637,682.514445937,660.533899876,371.791612486,272.976096226,199.480649942,150.783967618,144.9765506,102.72087726]	[]	my ads calcs
Ni	111	CO	-1.633	fcc	[2101.86885365,305.752713878,274.740032059,242.818714761,98.5959044546,72.5292198699]	[]	my ads calcs
Ni	111	OH	0.114	fcc	[3840.25959628,678.44875514,544.71137268,381.95253164,303.596138974,120.579394793]	[]	my ads calcs
Ni	111	O	0.451	fcc	[441.491215713,399.459280662,316.992048019]	[]	my ads calcs
Ni	111	H	-0.399	fcc	[1041.56374618,895.13059802,651.876743135]	[]	my ads calcs
Ni	111	OCHO	-0.701	fcc	[2984.76317729,1586.29833133,1351.55812766,1336.90971856,998.1102302,734.313456367,301.303437416,291.925894675,275.66986242,110.108981193,71.2675600817,20.5622614401]	[]	my ads calcs
Ni	111	COO-pe	-0.230389692887	fcc	[]	[]	my ads calcs
Ni	111	pe-H	0.7	fcc	[]	[]	my ads calcs
Ni	111	OC-peO	0.369610307113	fcc	[]	[]	my ads calcs
Ni	111	HCOO-pe	-0.489598592126	fcc	[]	[]	my ads calcs
Ni	111	O-pe	0.651	fcc	[]	[]	my ads calcs
Ni	111	pe-OH	0.414	fcc	[]	[]	my ads calcs
Ni	111	COOH-pe	-0.112	fcc	[]	[]	my ads calcs
Pt	111	COOH	-0.786	fcc	[3594.39393202,1516.07009303,1263.21231121,1106.87483637,682.514445937,660.533899876,371.791612486,272.976096226,199.480649942,150.783967618,144.9765506,102.72087726]	[]	my ads calcs
Pt	111	CO	-1.533	fcc	[2101.86885365,305.752713878,274.740032059,242.818714761,98.5959044546,72.5292198699]	[]	my ads calcs
Pt	111	OH	1.079	fcc	[3840.25959628,678.44875514,544.71137268,381.95253164,303.596138974,120.579394793]	[]	my ads calcs
Pt	111	O	1.947	fcc	[441.491215713,399.459280662,316.992048019]	[]	my ads calcs
Pt	111	H	-0.34	fcc	[1041.56374618,895.13059802,651.876743135]	[]	my ads calcs
Pt	111	OCHO	-0.476	fcc	[2984.76317729,1586.29833133,1351.55812766,1336.90971856,998.1102302,734.313456367,301.303437416,291.925894675,275.66986242,110.108981193,71.2675600817,20.5622614401]	[]	my ads calcs
Pt	111	COO-pe	-0.230389692887	fcc	[]	[]	my ads calcs
Pt	111	pe-H	0.7	fcc	[]	[]	my ads calcs
Pt	111	OC-peO	0.369610307113	fcc	[]	[]	my ads calcs
Pt	111	HCOO-pe	-0.276	fcc	[]	[]	my ads calcs
Pt	111	O-pe	2.147	fcc	[]	[]	my ads calcs
Pt	111	pe-OH	1.379	fcc	[]	[]	my ads calcs
Pt	111	COOH-pe	-0.286	fcc	[]	[]	my ads calcs
Pt	111	H-H	0.19	fcc	[]	[]	CatApp
Pd	111	COOH	-0.547	fcc	[3594.39393202,1516.07009303,1263.21231121,1106.87483637,682.514445937,660.533899876,371.791612486,272.976096226,199.480649942,150.783967618,144.9765506,102.72087726]	[]	my ads calcs
Pd	111	CO	-1.742	fcc	[2101.86885365,305.752713878,274.740032059,242.818714761,98.5959044546,72.5292198699]	[]	my ads calcs
Pd	111	OH	0.924	fcc	[3840.25959628,678.44875514,544.71137268,381.95253164,303.596138974,120.579394793]	[]	my ads calcs
Pd	111	O	1.691	fcc	[441.491215713,399.459280662,316.992048019]	[]	my ads calcs
Pd	111	H	-0.444	fcc	[1041.56374618,895.13059802,651.876743135]	[]	my ads calcs
Pd	111	OCHO	-0.54	fcc	[2984.76317729,1586.29833133,1351.55812766,1336.90971856,998.1102302,734.313456367,301.303437416,291.925894675,275.66986242,110.108981193,71.2675600817,20.5622614401]	[]	my ads calcs
Pd	111	COO-pe	-0.230389692887	fcc	[]	[]	my ads calcs
Pd	111	pe-H	0.7	fcc	[]	[]	my ads calcs
Pd	111	OC-peO	0.369610307113	fcc	[]	[]	my ads calcs
Pd	111	HCOO-pe	-0.34	fcc	[]	[]	my ads calcs
Pd	111	O-pe	1.891	fcc	[]	[]	my ads calcs
Pd	111	pe-OH	1.224	fcc	[]	[]	my ads calcs
Pd	111	COOH-pe	-0.047	fcc	[]	[]	my ads calcs
Pd	111	H-H	0.12	fcc	[]	[]	CatApp