{ "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" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.09455 3.8202 3.650169 3.526632 3.429547 3.34956 3.281541 3.22237 3.170008 3.123049 3.080481 3.041552 3.005689 2.972445 2.941462 2.912453 2.88518 2.859449 2.835093 2.811974 2.789971 2.768982 2.748918 2.7297 2.710272 2.690251 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.09455e-10 3.8202e-10 3.650169e-10 3.5266320000000004e-10 3.429547e-10 3.34956e-10 3.281541e-10 3.2223700000000004e-10 3.1700080000000004e-10 3.123049e-10 3.080481e-10 3.041552e-10 3.005689e-10 2.972445e-10 2.941462e-10 2.912453e-10 2.8851800000000004e-10 2.859449e-10 2.835093e-10 2.811974e-10 2.789971e-10 2.768982e-10 2.748918e-10 2.7297e-10 2.710272e-10 2.690251e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.6758 4.00479 5.17555 6.24771 7.24444 8.18007 9.06022 9.88765 10.665 11.3938 12.076 12.7108 13.2983 13.8398 14.3352 14.7837 15.1828 15.5318 15.8298 16.0758 16.2691 16.4092 16.4941 16.5226 16.4904 16.3828 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2871042372572e-19 6.416380962076859e-19 8.2921452780987e-19 1.000993497800814e-18 1.1606872494414959e-18 1.310591701848438e-18 1.4516072782899478e-18 1.58417617951701e-18 1.7087213801609998e-18 1.82548801324692e-18 1.9347885032184e-18 2.03649467594472e-18 2.1306225531922197e-18 2.21738041792332e-18 2.29675224837168e-18 2.36860987040658e-18 2.43255273986952e-18 2.48846870439612e-18 2.53621356808932e-18 2.57562711328572e-18 2.60659718762094e-18 2.6290436822632796e-18 2.6426461618859397e-18 2.64721236529284e-18 2.64205335653136e-18 2.62481393594952e-18 ] } }