{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.18557 3.905121 3.73131 3.605028 3.505785 3.42402 3.354488 3.294002 3.240476 3.192473 3.148958 3.109164 3.072504 3.038521 3.006849 2.977195 2.949317 2.923013 2.898116 2.874483 2.851991 2.830535 2.810025 2.79038 2.777006 2.76293 2.748076 2.73235 2.715646 2.697832 2.678751 2.658209 2.635964 2.611707 2.585037 2.555422 2.522129 2.484113 2.439809 2.386716 2.320464 2.2323 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.1855700000000003e-10 3.905121e-10 3.7313100000000004e-10 3.605028e-10 3.505785e-10 3.4240200000000004e-10 3.354488e-10 3.294002e-10 3.2404760000000004e-10 3.1924730000000003e-10 3.148958e-10 3.109164e-10 3.072504e-10 3.038521e-10 3.006849e-10 2.9771950000000003e-10 2.949317e-10 2.923013e-10 2.898116e-10 2.874483e-10 2.851991e-10 2.830535e-10 2.8100250000000003e-10 2.79038e-10 2.777006e-10 2.76293e-10 2.748076e-10 2.73235e-10 2.715646e-10 2.697832e-10 2.678751e-10 2.658209e-10 2.635964e-10 2.611707e-10 2.585037e-10 2.555422e-10 2.522129e-10 2.4841129999999997e-10 2.439809e-10 2.386716e-10 2.320464e-10 2.2323000000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ -0.0545936 0.21475 0.536148 0.84145 1.11531 1.3569 1.5693 1.7563 1.92144 2.06589 2.19028 2.29629 2.38617 2.4624 2.52727 2.58267 2.63 2.67021 2.70386 2.73124 2.75249 2.76764 2.77671 2.77972 2.77823 2.77329 2.76417 2.75022 2.7306 2.70417 2.66942 2.62419 2.5656 2.48969 2.38978 2.25517 2.0685 1.80176 1.4108 0.829989 -0.0261881 -1.25371 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -8.746858956530689e-21 3.4406742931680004e-20 8.590037908886783e-20 1.3481515175721601e-19 1.7869236069444482e-19 2.17399345676352e-19 2.51429577102144e-19 2.8139027991110403e-19 3.0784862462699524e-19 3.3099206591445124e-19 3.5092154090058244e-19 3.679062152576832e-19 3.823065787254336e-19 3.9451997110579204e-19 4.0491329084492167e-19 4.1378934932415357e-19 4.213724512704e-19 4.278148034626368e-19 4.3320612779162884e-19 4.3759288737937925e-19 4.409975126985792e-19 4.434248102790913e-19 4.448779844741569e-19 4.453602396370177e-19 4.451215153205184e-19 4.443300400698432e-19 4.428688549916736e-19 4.406338186056577e-19 4.37490348075648e-19 4.332557952668736e-19 4.2768823150959366e-19 4.204415866537152e-19 4.11054433832448e-19 3.988923111039552e-19 3.8288496448554243e-19 3.613180649929536e-19 3.3141023401248e-19 2.8867377482926084e-19 2.2603507766246403e-19 1.3297889713211713e-19 -4.195796156317248e-21 -2.0086648512631682e-19 ] } }