{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.42964 6.931826 6.623301 6.399141 6.222978 6.07784 5.954418 5.847051 5.752039 5.66683 5.589589 5.518952 5.453879 5.393556 5.337337 5.284699 5.235212 5.188522 5.144328 5.102377 5.062453 5.024368 4.987961 4.95309 4.92935 4.904366 4.877998 4.850084 4.820433 4.788812 4.754943 4.71848 4.678994 4.635936 4.588596 4.536028 4.47693 4.40945 4.330808 4.236566 4.118965 3.96247 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.42964e-10 6.931826e-10 6.623301e-10 6.399141000000001e-10 6.222978e-10 6.077840000000001e-10 5.954418e-10 5.847051e-10 5.752039e-10 5.66683e-10 5.589589000000001e-10 5.518951999999999e-10 5.453879e-10 5.393556e-10 5.337337e-10 5.284699e-10 5.235212e-10 5.188522e-10 5.144328e-10 5.102377e-10 5.062452999999999e-10 5.024368e-10 4.987961000000001e-10 4.95309e-10 4.92935e-10 4.904366e-10 4.877998e-10 4.850084e-10 4.820433e-10 4.788812e-10 4.754943e-10 4.71848e-10 4.678994e-10 4.635936e-10 4.588596e-10 4.5360280000000003e-10 4.4769300000000006e-10 4.4094499999999997e-10 4.330808e-10 4.236566e-10 4.118965e-10 3.9624700000000003e-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" [ 0.859408 1.18845 1.49994 1.75072 1.93361 2.08008 2.20355 2.31026 2.40542 2.49364 2.57625 2.6515 2.7173 2.77312 2.82035 2.86135 2.89829 2.93238 2.9636 2.99099 3.01332 3.02959 3.03932 3.04252 3.04098 3.03598 3.02684 3.01272 2.99266 2.96563 2.9307 2.88705 2.83397 2.77031 2.69272 2.59186 2.4484 2.23244 1.90126 1.36995 0.432292 -1.36901 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3769234053284865e-19 1.90410680498976e-19 2.403168800602752e-19 2.8049626535669763e-19 3.0979847357450883e-19 3.3326555453936646e-19 3.53047629276384e-19 3.701444559969408e-19 3.853907687204736e-19 3.9952517086917123e-19 4.127607519336e-19 4.2481713100512e-19 4.35359453169984e-19 4.443028030672896e-19 4.51869883247328e-19 4.58438807392608e-19 4.6435724782984315e-19 4.698190679301505e-19 4.74821063340288e-19 4.792094251046593e-19 4.827870854989056e-19 4.853938268609472e-19 4.869527447129856e-19 4.874654412316416e-19 4.872187060320384e-19 4.864176177216384e-19 4.849532282902272e-19 4.826909549016576e-19 4.794769886003328e-19 4.751463051943104e-19 4.69549902257856e-19 4.6255640130806405e-19 4.540520478048576e-19 4.438525914368448e-19 4.3142130303605764e-19 4.1526174963866883e-19 3.9227692383667203e-19 3.576763175338752e-19 3.046154322062208e-19 2.19490186166496e-19 6.926081357588737e-20 -2.1933958156414083e-19 ] } }