{ "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 4.917837 4.881508 4.844037 4.805348 4.76536 4.723982 4.681115 4.636647 4.590454 4.542397 4.492319 4.440043 4.385366 4.328058 4.267852 4.20444 4.13746 4.066488 3.991017 3.910438 3.824009 3.730814 3.629701 3.519202 3.397391 3.261688 3.108509 ] "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 4.917837e-10 4.881508000000001e-10 4.844037e-10 4.805348000000001e-10 4.765360000000001e-10 4.723982000000001e-10 4.681115e-10 4.6366470000000003e-10 4.5904540000000007e-10 4.5423970000000003e-10 4.4923190000000005e-10 4.4400430000000004e-10 4.3853660000000007e-10 4.3280580000000003e-10 4.2678520000000005e-10 4.2044400000000003e-10 4.13746e-10 4.0664879999999997e-10 3.9910169999999997e-10 3.910438e-10 3.824009e-10 3.730814e-10 3.629701e-10 3.519202e-10 3.397391e-10 3.261688e-10 3.1085090000000005e-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 3.03912 3.02829 3.00905 2.98047 2.94206 2.894 2.83696 2.77141 2.69596 2.6052 2.4895 2.3378 2.14046 1.88801 1.56523 1.14709 0.602556 -0.0987149 -0.990024 -2.12448 -3.58416 -5.50939 -8.14602 -11.7908 -16.9827 -24.6759 -36.3104 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3769234166726717e-19 1.9041068206772999e-19 2.40316882040196e-19 2.80496267667648e-19 3.0979847612687397e-19 3.33265557285072e-19 3.5304763218506995e-19 3.70144459046484e-19 3.85390771895628e-19 3.99525174160776e-19 4.1276075533425e-19 4.248171345051e-19 4.3535945675682e-19 4.44302806727808e-19 4.5186988697019e-19 4.5843881116959e-19 4.64357251655586e-19 4.69819071800892e-19 4.748210672522399e-19 4.7920942905276595e-19 4.82787089476488e-19 4.85393830860006e-19 4.8695274872488795e-19 4.874654452477679e-19 4.86920705192208e-19 4.85185547897586e-19 4.821029600537699e-19 4.775239392337979e-19 4.71369978782604e-19 4.636699178796e-19 4.54531102359264e-19 4.44028834523394e-19 4.3194041181986394e-19 4.1739905668967997e-19 3.9886187303429997e-19 3.7455685349652e-19 3.42939499801164e-19 3.02492550675834e-19 2.5077749328358197e-19 1.8378407950950598e-19 9.65401143876504e-20 -1.5815870620764658e-20 -1.5861933198992159e-19 -3.40379221540032e-19 -5.742457404517439e-19 -8.827015925593259e-19 -1.3051362904096679e-18 -1.88909442561672e-18 -2.72092851222318e-18 -3.953515040292059e-18 -5.81756744511936e-18 ] } }