{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.42054 5.99034 5.723719 5.530005 5.377769 5.252344 5.145686 5.052901 4.970794 4.897159 4.830408 4.769366 4.71313 4.661001 4.612417 4.566929 4.524164 4.483815 4.445624 4.409371 4.374869 4.341957 4.310495 4.28036 4.249895 4.2185 4.186118 4.152684 4.118127 4.082369 4.045324 4.006896 3.966977 3.925447 3.882171 3.836994 3.789744 3.740219 3.68819 3.63339 3.575508 3.514175 3.448955 3.37932 3.304629 3.224091 3.136712 3.04122 2.935954 2.818682 2.686307 2.534359 2.356026 2.14018 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.42054e-10 5.99034e-10 5.723719e-10 5.530005e-10 5.377769e-10 5.252344e-10 5.145686000000001e-10 5.052901000000001e-10 4.970794e-10 4.897159000000001e-10 4.830408000000001e-10 4.769366e-10 4.71313e-10 4.661001e-10 4.612417e-10 4.566929e-10 4.524164e-10 4.483815e-10 4.4456239999999995e-10 4.4093710000000004e-10 4.3748690000000005e-10 4.341957e-10 4.3104950000000007e-10 4.28036e-10 4.2498950000000004e-10 4.2185e-10 4.1861179999999997e-10 4.152684e-10 4.1181270000000003e-10 4.082369e-10 4.045324e-10 4.006896e-10 3.9669770000000003e-10 3.925447e-10 3.8821710000000004e-10 3.836994e-10 3.789744e-10 3.7402190000000005e-10 3.68819e-10 3.63339e-10 3.575508e-10 3.514175e-10 3.4489550000000003e-10 3.37932e-10 3.304629e-10 3.224091e-10 3.1367120000000003e-10 3.04122e-10 2.9359540000000003e-10 2.818682e-10 2.686307e-10 2.534359e-10 2.356026e-10 2.14018e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.713769 1.13949 1.47937 1.76048 2.05595 2.27231 2.46016 2.62398 2.76713 2.89223 3.00137 3.09624 3.17825 3.24858 3.30823 3.35806 3.39881 3.58453 3.62097 3.64997 3.67194 3.68725 3.69621 3.69914 3.69598 3.68573 3.66709 3.63849 3.59805 3.54349 3.47206 3.38039 3.26438 3.11893 2.97554 2.75177 2.47359 2.12781 1.69742 1.16013 0.486505 -0.363022 -1.51457 -2.94298 -4.80631 -7.2722 -10.6305 -15.2298 -22.1734 -32.1011 -47.6107 -74.0573 -122.41 -229.914 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.143584013873546e-19 1.8256642526766597e-19 2.37021204704058e-19 2.82059992062432e-19 3.2939950506723003e-19 3.64064198720454e-19 3.94161086790144e-19 4.2040794440833196e-19 4.43343102924042e-19 4.63386332615382e-19 4.80872488398858e-19 4.9607233812561595e-19 5.092117887010499e-19 5.204798969679719e-19 5.30036880589782e-19 5.38020526757004e-19 5.44549396540554e-19 5.74305020987202e-19 5.8014335264149795e-19 5.84789664880098e-19 5.883096469449959e-19 5.9076257937165e-19 5.92198129635714e-19 5.926675673894759e-19 5.92161279573132e-19 5.90519048523282e-19 5.875325912775059e-19 5.82950366104266e-19 5.7647116379637e-19 5.677296880812659e-19 5.56285340384604e-19 5.41598187180726e-19 5.230113360496919e-19 4.99707676908162e-19 4.76734066153236e-19 4.40882159614218e-19 3.96312810009606e-19 3.40912746359154e-19 2.7195666620842797e-19 1.85873317840242e-19 7.7946694332417e-20 -5.81625366027948e-20 -2.42660866455738e-19 -4.715173790329319e-19 -7.700557577760539e-19 -1.1651348917774799e-18 -1.7031938707736999e-18 -2.4400829700493196e-18 -3.55257033763356e-18 -5.14316323456974e-18 -7.62807510683838e-18 -1.1865287563712818e-17 -1.9612244176793998e-17 -3.6836283862947596e-17 ] } }