{ "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" [ "Zn" "Zn" ] } "a" { "source-value" [ 4.69335 4.378878 4.183981 4.042378 3.931095 3.839411 3.761444 3.69362 3.633601 3.579774 3.53098 3.486358 3.445251 3.407145 3.371631 3.338379 3.307118 3.277624 3.249706 3.223206 3.197985 3.173927 3.150928 3.1289 3.113904 3.098121 3.081464 3.063831 3.0451 3.025125 3.00373 2.980696 2.955752 2.928552 2.898647 2.865439 2.828107 2.78548 2.735801 2.676268 2.601979 2.50312 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.69335e-10 4.3788780000000005e-10 4.1839810000000004e-10 4.042378e-10 3.931095e-10 3.839411e-10 3.761444e-10 3.69362e-10 3.633601e-10 3.5797740000000004e-10 3.5309800000000004e-10 3.486358e-10 3.445251e-10 3.407145e-10 3.371631e-10 3.338379e-10 3.307118e-10 3.277624e-10 3.2497060000000005e-10 3.223206e-10 3.197985e-10 3.173927e-10 3.150928e-10 3.1289e-10 3.1139039999999997e-10 3.098121e-10 3.081464e-10 3.063831e-10 3.0451e-10 3.025125e-10 3.00373e-10 2.980696e-10 2.955752e-10 2.928552e-10 2.898647e-10 2.865439e-10 2.8281070000000005e-10 2.78548e-10 2.735801e-10 2.676268e-10 2.601979e-10 2.50312e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.189845 0.283373 0.362685 0.43294 0.496442 0.554448 0.607732 0.656801 0.702013 0.743628 0.781842 0.816805 0.848635 0.877431 0.903271 0.92622 0.946334 0.963659 0.978238 0.990104 0.999289 1.00582 1.00972 1.01102 1.01038 1.00824 1.0042 0.997773 0.988274 0.974816 0.956196 0.930749 0.896135 0.848974 0.784248 0.694234 0.566537 0.380172 0.0970935 -0.358203 -1.15606 -2.76338 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0416522308173e-20 4.5401359930648195e-20 5.8108543250229e-20 6.936463519239599e-20 7.95387772536228e-20 8.88323630368032e-20 9.73694010134088e-20 1.0523112153878339e-19 1.124748825364242e-19 1.1914234059881518e-19 1.252648983879828e-19 1.30866588553437e-19 1.35966316779459e-19 1.4057994461472538e-19 1.447199690369814e-19 1.48396804194348e-19 1.5161942227597559e-19 1.543951932943806e-19 1.567310066090892e-19 1.5863214940299358e-19 1.601037486413226e-19 1.6115013020098799e-19 1.6177497908824797e-19 1.6198326205066798e-19 1.61880722746092e-19 1.61537856946416e-19 1.6089057758627998e-19 1.5986085866360819e-19 1.5833895107897158e-19 1.561827417649344e-19 1.531994888724264e-19 1.491224299918866e-19 1.43576655790959e-19 1.360206305673516e-19 1.2565038208612317e-19 1.112285493328356e-19 9.076923436964578e-20 6.091026953010479e-20 1.5556093701327898e-20 -5.73904476828702e-20 -1.85221231950204e-19 -4.42742286686292e-19 ] } }