{ "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" [ "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 5.95663 5.557514 5.310159 5.130441 4.989205 4.872843 4.773891 4.687811 4.611637 4.543321 4.481394 4.424762 4.37259 4.324227 4.279154 4.236953 4.197278 4.159844 4.124413 4.090779 4.05877 4.028236 3.999048 3.97109 3.952057 3.932026 3.910885 3.888506 3.864733 3.839382 3.812228 3.782994 3.751336 3.716815 3.678861 3.636714 3.589334 3.535232 3.472181 3.396624 3.302339 3.17687 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.95663e-10 5.557514e-10 5.310159e-10 5.130441000000001e-10 4.989205e-10 4.872843e-10 4.773891e-10 4.687811e-10 4.6116370000000003e-10 4.5433209999999997e-10 4.481394e-10 4.4247620000000004e-10 4.37259e-10 4.3242269999999997e-10 4.2791540000000004e-10 4.236953e-10 4.197278e-10 4.159844e-10 4.124413e-10 4.0907790000000005e-10 4.05877e-10 4.0282359999999997e-10 3.999048e-10 3.97109e-10 3.952057e-10 3.932026e-10 3.9108850000000003e-10 3.888506e-10 3.8647330000000003e-10 3.839382e-10 3.812228e-10 3.782994e-10 3.751336e-10 3.716815e-10 3.678861e-10 3.6367140000000003e-10 3.589334e-10 3.535232e-10 3.4721810000000003e-10 3.3966240000000003e-10 3.302339e-10 3.1768700000000004e-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0949848 0.430411 0.909136 1.42364 1.88928 2.25488 2.50122 2.63339 2.67158 2.65662 2.61435 2.55096 2.4758 2.40123 2.34026 2.27804 2.20459 2.11707 2.01164 1.8829 1.72313 1.52079 1.25778 0.904087 0.405725 -0.345726 -1.60769 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5218242589136384e-20 6.895944415351488e-20 1.456596444327629e-19 2.280922724435712e-19 3.026960246145024e-19 3.612716018709504e-19 4.007396207477376e-19 4.219155891448512e-19 4.2803430165968646e-19 4.2563744543496965e-19 4.1886504485884802e-19 4.087088472595968e-19 3.9666688777766404e-19 3.8471945671635844e-19 3.749509858593408e-19 3.649822429247232e-19 3.5321425564494723e-19 3.391920058597056e-19 3.223002577466112e-19 3.0167383593043203e-19 2.760758600599104e-19 2.4365741831464325e-19 2.015185710109824e-19 1.4485070545692097e-19 6.5004310947408e-20 -5.539141144027008e-20 -2.5758033314939524e-19 ] } }