{ "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" [ 7.97889 7.444275 7.112942 6.872211 6.683025 6.527158 6.394611 6.279308 6.177272 6.085764 6.002813 5.926954 5.85707 5.792287 5.731912 5.675383 5.622238 5.572096 5.524635 5.479584 5.436708 5.395808 5.356709 5.31926 5.293766 5.266934 5.238616 5.208639 5.176796 5.142838 5.106465 5.067307 5.024902 4.978661 4.927821 4.871367 4.807901 4.735432 4.650977 4.549768 4.423474 4.25541 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.97889e-10 7.444275e-10 7.112942e-10 6.872211000000001e-10 6.683025e-10 6.527158e-10 6.394611e-10 6.279308000000001e-10 6.177272e-10 6.085764000000001e-10 6.002813e-10 5.926954e-10 5.85707e-10 5.792287e-10 5.731912e-10 5.675383000000001e-10 5.622238e-10 5.572096000000001e-10 5.524635000000001e-10 5.479584e-10 5.436708000000001e-10 5.395808e-10 5.356709e-10 5.31926e-10 5.293766e-10 5.266934e-10 5.238616000000001e-10 5.208639e-10 5.176796000000001e-10 5.142838000000001e-10 5.106465e-10 5.067307e-10 5.024902000000001e-10 4.978661e-10 4.927821e-10 4.871367e-10 4.807901000000001e-10 4.735432000000001e-10 4.650977e-10 4.5497680000000003e-10 4.423474e-10 4.2554100000000007e-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" [ 1.06793 1.37906 1.60679 1.78826 1.93888 2.06686 2.1772 2.27321 2.35725 2.43104 2.49592 2.55291 2.60287 2.64649 2.68433 2.71688 2.74456 2.76773 2.78669 2.80173 2.81307 2.82095 2.82555 2.82705 2.82633 2.82395 2.81954 2.81262 2.8026 2.78869 2.76984 2.74468 2.7113 2.66705 2.60814 2.52894 2.42076 2.26958 2.05127 1.72071 1.1832 0.201704 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.71101249274762e-19 2.20949770888404e-19 2.5743613937448596e-19 2.8651083875168397e-19 3.1064282321299196e-19 3.31147479774924e-19 3.4882589675447998e-19 3.64208394617514e-19 3.7767308704964996e-19 3.8949554843193593e-19 3.99890470433328e-19 4.0902127507049393e-19 4.1702574953395796e-19 4.2401444401146596e-19 4.30077080394522e-19 4.35292165338192e-19 4.39726990261104e-19 4.43439233522082e-19 4.46476960420146e-19 4.48886634077682e-19 4.50703502380638e-19 4.519660175682299e-19 4.527030188198699e-19 4.529433453149699e-19 4.5282798859732195e-19 4.5244667055843e-19 4.5174011066283595e-19 4.5063140443210795e-19 4.4902602344484e-19 4.467973957469459e-19 4.437772927918559e-19 4.397462163807119e-19 4.3439815077642e-19 4.2730851917097e-19 4.17870096620076e-19 4.05180857678796e-19 3.8784851085218395e-19 3.6362680449937197e-19 3.28649686402518e-19 2.75688135589014e-19 1.8956953933488e-19 3.23165435784336e-20 ] } }