{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.88584 7.35746 7.029992 6.792068 6.605089 6.45104 6.320039 6.20608 6.105235 6.014794 5.93281 5.857836 5.788767 5.72474 5.665069 5.609199 5.556675 5.507117 5.46021 5.415684 5.373308 5.332885 5.294242 5.25723 5.232033 5.205514 5.177526 5.147899 5.116427 5.082865 5.046916 5.008214 4.966303 4.920601 4.870354 4.814557 4.751831 4.680207 4.596736 4.496707 4.371885 4.20578 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.88584e-10 7.35746e-10 7.029992e-10 6.792068000000001e-10 6.605089000000001e-10 6.45104e-10 6.320039000000001e-10 6.206080000000001e-10 6.105235000000001e-10 6.014794e-10 5.932810000000001e-10 5.857836e-10 5.788767000000001e-10 5.72474e-10 5.665069e-10 5.609199e-10 5.556675e-10 5.507117e-10 5.460210000000001e-10 5.415684e-10 5.373308e-10 5.332885000000001e-10 5.294242e-10 5.25723e-10 5.232033e-10 5.205514000000001e-10 5.177526e-10 5.147899e-10 5.116427e-10 5.082865e-10 5.046916e-10 5.008214e-10 4.966303e-10 4.920601e-10 4.870354e-10 4.814557e-10 4.751831000000001e-10 4.680207e-10 4.596736e-10 4.496707e-10 4.371885e-10 4.20578e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.24488 1.53872 1.75093 1.91768 2.05423 2.16879 2.26637 2.35034 2.42305 2.48626 2.5413 2.58923 2.63087 2.66693 2.69797 2.72448 2.74685 2.76545 2.78057 2.79248 2.80141 2.80758 2.81116 2.81232 2.81176 2.80994 2.80657 2.80132 2.79374 2.78327 2.76916 2.75044 2.72577 2.69331 2.65044 2.5933 2.51607 2.40937 2.25694 2.02712 1.64843 0.918231 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.99451764813392e-19 2.46530123026848e-19 2.80529913376962e-19 3.0724620874891197e-19 3.2912393068618197e-19 3.47478466205286e-19 3.6311250579985803e-19 3.76565982995556e-19 3.8821540930136995e-19 3.98342767804884e-19 4.0716114799842e-19 4.14840380605182e-19 4.2151184410915794e-19 4.2728929305136195e-19 4.32262449323298e-19 4.365098195800319e-19 4.400938887102899e-19 4.4307393724953e-19 4.45496428320138e-19 4.47404620691232e-19 4.48835364425394e-19 4.49823907408572e-19 4.50397486643544e-19 4.50583339133088e-19 4.50493617241584e-19 4.50202021094196e-19 4.496620875685379e-19 4.48820944835688e-19 4.47606494947116e-19 4.459290160113179e-19 4.436683447807439e-19 4.40669070121896e-19 4.36716500365818e-19 4.3151583501185395e-19 4.24647303781896e-19 4.1549246649522e-19 4.03118856350838e-19 3.86023631666058e-19 3.61601653233996e-19 3.24780429831408e-19 2.64107602878462e-19 1.471168252814454e-19 ] } }