{ "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" [ 8.14753 7.601616 7.26328 7.017462 6.824278 6.665116 6.529768 6.412028 6.307836 6.214394 6.129689 6.052227 5.980866 5.914714 5.853063 5.795339 5.741072 5.68987 5.641406 5.595402 5.55162 5.509856 5.469931 5.43169 5.405657 5.378258 5.349342 5.318731 5.286214 5.251539 5.214397 5.174411 5.131109 5.08389 5.031976 4.974328 4.909521 4.83552 4.749279 4.645931 4.516967 4.34535 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14753e-10 7.601616e-10 7.26328e-10 7.017462e-10 6.824278e-10 6.665116e-10 6.529768e-10 6.412028000000001e-10 6.307836e-10 6.214394000000001e-10 6.129689000000001e-10 6.052227e-10 5.980866e-10 5.914714000000001e-10 5.853063e-10 5.795339000000001e-10 5.741072e-10 5.68987e-10 5.641406e-10 5.595402e-10 5.55162e-10 5.509856e-10 5.469931e-10 5.43169e-10 5.405657e-10 5.378258e-10 5.349342e-10 5.318731e-10 5.286214e-10 5.251539e-10 5.214397e-10 5.174411000000001e-10 5.131109000000001e-10 5.08389e-10 5.031976e-10 4.974328e-10 4.909521e-10 4.83552e-10 4.749279e-10 4.645931e-10 4.5169670000000004e-10 4.34535e-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" [ 1.49786 1.77792 1.97652 2.13302 2.26239 2.3722 2.4669 2.54941 2.62173 2.68535 2.74138 2.79069 2.834 2.87187 2.90479 2.93316 2.95732 2.97757 2.99418 3.00736 3.01733 3.02425 3.02831 3.02963 3.02897 3.02683 3.02292 3.0168 3.00792 2.99557 2.97883 2.95643 2.92669 2.8872 2.83453 2.76356 2.66642 2.53032 2.3332 2.03367 1.54448 0.646133 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3998362930032397e-19 2.84854188112128e-19 3.16673416063368e-19 3.41747480385468e-19 3.6247483949952596e-19 3.8006834111747997e-19 3.9524095384145994e-19 4.0846051324859396e-19 4.2004745466568194e-19 4.3024050241119e-19 4.39217498091492e-19 4.47117831073746e-19 4.540568580756e-19 4.60124300988558e-19 4.65398666467686e-19 4.69944041578344e-19 4.73814900326088e-19 4.770593080099379e-19 4.797205233990119e-19 4.818321922026239e-19 4.834295623067219e-19 4.845382685374499e-19 4.851887522508539e-19 4.8540023956654195e-19 4.85294495908698e-19 4.84951630109022e-19 4.84325179045128e-19 4.833446469451199e-19 4.819219140941279e-19 4.799432259511379e-19 4.772611822658219e-19 4.73672306605662e-19 4.68907433296146e-19 4.6258043776848e-19 4.541417734372019e-19 4.42771125865704e-19 4.2720758204302797e-19 4.05401958054288e-19 3.7381985224488e-19 3.2582985552667797e-19 2.47452976768032e-19 1.0352191950563219e-19 ] } }