{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.70718 4.391782 4.19631 4.05429 3.942679 3.850724 3.772528 3.704504 3.644308 3.590322 3.541385 3.496632 3.455403 3.417184 3.381566 3.348216 3.316863 3.287282 3.259282 3.232704 3.207409 3.18328 3.160213 3.13812 3.12308 3.10725 3.090544 3.072859 3.054073 3.03404 3.012581 2.98948 2.964463 2.937183 2.90719 2.873885 2.836443 2.79369 2.743865 2.684157 2.60965 2.5105 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.70718e-10 4.391782e-10 4.1963100000000004e-10 4.05429e-10 3.9426790000000003e-10 3.8507240000000004e-10 3.772528e-10 3.704504e-10 3.644308e-10 3.5903220000000003e-10 3.541385e-10 3.496632e-10 3.455403e-10 3.4171840000000004e-10 3.381566e-10 3.348216e-10 3.3168630000000003e-10 3.287282e-10 3.259282e-10 3.2327040000000004e-10 3.2074090000000005e-10 3.18328e-10 3.160213e-10 3.13812e-10 3.12308e-10 3.1072500000000003e-10 3.090544e-10 3.0728589999999997e-10 3.054073e-10 3.0340400000000004e-10 3.012581e-10 2.98948e-10 2.964463e-10 2.937183e-10 2.90719e-10 2.873885e-10 2.836443e-10 2.79369e-10 2.743865e-10 2.684157e-10 2.60965e-10 2.5105000000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.22375 1.59447 1.91609 2.1238 2.36764 2.59258 2.79568 2.97932 3.14535 3.29526 3.43025 3.55132 3.6593 3.7549 3.83873 3.91133 3.97314 4.0246 4.06605 4.09782 4.1202 4.13345 4.13782 4.13568 4.12857 4.11526 4.09417 4.06324 4.01976 3.96007 3.87922 3.77026 3.62334 3.424 3.15034 2.76781 2.21921 1.40366 0.128189 -2.01919 -6.0679 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.9606636558574997e-19 2.55462257761398e-19 3.0699146266410597e-19 3.4027027352892e-19 3.79337748572376e-19 4.1537710977757194e-19 4.47917317214112e-19 4.77339688920888e-19 5.0394062757519e-19 5.279588574954839e-19 5.4958663987785e-19 5.689841923856879e-19 5.8628449567962e-19 6.016013043006599e-19 6.150323510234819e-19 6.26664153386322e-19 6.36567207161076e-19 6.4481200811964e-19 6.514530302675699e-19 6.565431454337879e-19 6.601288167406799e-19 6.622517007807299e-19 6.629518519697879e-19 6.626089861701119e-19 6.614698385833379e-19 6.593373414834839e-19 6.55958350962378e-19 6.51002818633416e-19 6.440365546287839e-19 6.34473162300438e-19 6.21519564214548e-19 6.0406224761048395e-19 5.805230685037559e-19 5.485852794816e-19 5.04740113715556e-19 4.434520509351539e-19 3.5555664079391394e-19 2.24891125408044e-19 2.0538142053582597e-20 -3.2350990376064597e-19 -9.721847597448599e-19 ] } }