{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.28298 3.996005 3.818149 3.688927 3.587374 3.503706 3.432557 3.370663 3.315891 3.266771 3.222243 3.181523 3.14401 3.109236 3.076827 3.046483 3.017955 2.99104 2.965563 2.94138 2.918365 2.89641 2.875422 2.85532 2.841635 2.827232 2.812032 2.79594 2.778847 2.760619 2.741095 2.720075 2.697312 2.672491 2.645201 2.614897 2.58083 2.541929 2.496595 2.442268 2.374474 2.28426 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2829800000000004e-10 3.996005e-10 3.818149e-10 3.6889270000000004e-10 3.5873740000000004e-10 3.5037060000000004e-10 3.4325570000000004e-10 3.370663e-10 3.315891e-10 3.266771e-10 3.2222430000000003e-10 3.181523e-10 3.1440100000000003e-10 3.109236e-10 3.0768270000000005e-10 3.046483e-10 3.0179550000000005e-10 2.99104e-10 2.965563e-10 2.94138e-10 2.918365e-10 2.89641e-10 2.875422e-10 2.85532e-10 2.841635e-10 2.827232e-10 2.812032e-10 2.79594e-10 2.7788469999999997e-10 2.760619e-10 2.741095e-10 2.720075e-10 2.6973120000000003e-10 2.672491e-10 2.645201e-10 2.614897e-10 2.5808300000000003e-10 2.541929e-10 2.4965950000000004e-10 2.442268e-10 2.3744740000000004e-10 2.2842600000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.835776 1.37578 1.81986 2.21186 2.52894 2.781 2.98194 3.14652 3.28795 3.4141 3.52749 3.62839 3.71697 3.7938 3.85988 3.91673 3.96564 4.00766 4.04325 4.07234 4.09477 4.11049 4.11956 4.12244 4.1211 4.11678 4.10901 4.0972 4.08063 4.05837 4.02904 3.99073 3.94083 3.87593 3.79163 3.67996 3.52629 3.30683 2.98273 2.51036 1.83866 0.873961 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3390607784579838e-19 2.2042425695245197e-19 2.91573716915124e-19 3.54379040967924e-19 4.05180857678796e-19 4.455653219154e-19 4.77759459198996e-19 5.04128082241368e-19 5.267876663760299e-19 5.469991246139399e-19 5.6516620546686595e-19 5.81332167703926e-19 5.955242483278979e-19 6.0783377140692e-19 6.184209546043919e-19 6.275293287686819e-19 6.35365574685576e-19 6.420979209016439e-19 6.478000675420499e-19 6.524607993703559e-19 6.560544815604179e-19 6.585731032290661e-19 6.600262774361039e-19 6.604877043066959e-19 6.6027301263774e-19 6.59580872331852e-19 6.583359810872338e-19 6.5644381048248e-19 6.53789003799942e-19 6.50222558612658e-19 6.45523374545136e-19 6.3938543586028195e-19 6.31390574456622e-19 6.209924481019619e-19 6.07486099077342e-19 5.89594592605464e-19 5.649739442707859e-19 5.29812575861022e-19 4.77886031153082e-19 4.0220401349282396e-19 2.94585808987044e-19 1.4002398932272738e-19 ] } }