{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.80858 4.486387 4.286705 4.141626 4.02761 3.933675 3.853794 3.784305 3.722812 3.667663 3.617672 3.571954 3.529838 3.490796 3.45441 3.420342 3.388314 3.358095 3.329492 3.302341 3.276501 3.251852 3.228289 3.20572 3.190356 3.174185 3.157119 3.139053 3.119863 3.099398 3.077477 3.053878 3.028322 3.000454 2.969816 2.935793 2.897544 2.85387 2.802972 2.741978 2.665865 2.56458 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.80858e-10 4.4863869999999996e-10 4.2867050000000003e-10 4.141626e-10 4.02761e-10 3.9336750000000004e-10 3.8537940000000003e-10 3.784305e-10 3.722812e-10 3.6676630000000003e-10 3.617672e-10 3.571954e-10 3.529838e-10 3.490796e-10 3.4544100000000006e-10 3.4203420000000005e-10 3.388314e-10 3.358095e-10 3.3294920000000003e-10 3.302341e-10 3.2765010000000003e-10 3.251852e-10 3.228289e-10 3.20572e-10 3.190356e-10 3.174185e-10 3.1571189999999997e-10 3.139053e-10 3.1198630000000004e-10 3.099398e-10 3.077477e-10 3.0538780000000004e-10 3.028322e-10 3.000454e-10 2.969816e-10 2.935793e-10 2.897544e-10 2.85387e-10 2.802972e-10 2.741978e-10 2.6658650000000003e-10 2.56458e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.02582 1.40892 1.69536 1.92426 2.11393 2.2745 2.41229 2.53161 2.63551 2.72628 2.80569 2.87513 2.93574 2.98843 3.03398 3.07304 3.10617 3.13385 3.1565 3.17449 3.18812 3.19762 3.20319 3.20502 3.20413 3.20122 3.1958 3.18728 3.17488 3.15758 3.13406 3.10249 3.06037 3.0042 2.92888 2.82678 2.68601 2.48708 2.19577 1.74623 0.995633 -0.429225 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6435448346898797e-19 2.25733870317528e-19 2.7162661782182396e-19 3.0830044097408397e-19 3.3868892519116196e-19 3.644150754033e-19 3.8649146724318597e-19 4.05608638840074e-19 4.22255254067334e-19 4.36798211374152e-19 4.49521096024746e-19 4.60646610571242e-19 4.703574031499159e-19 4.78799271834462e-19 4.86097186402332e-19 4.92355288334736e-19 4.97663299523178e-19 5.020981244460899e-19 5.057270545220999e-19 5.086093702866659e-19 5.10793137038808e-19 5.123152048411079e-19 5.13207617226246e-19 5.13500815550268e-19 5.133582218298419e-19 5.12891988429348e-19 5.1202360869372e-19 5.106585542015519e-19 5.08671855175392e-19 5.05900089598572e-19 5.021317701554039e-19 4.970736985218659e-19 4.9032533053945795e-19 4.8132590438628e-19 4.69258309978992e-19 4.529000865458519e-19 4.3034624606903397e-19 3.98474146288872e-19 3.5180113876381797e-19 2.7977689035898197e-19 1.5951799286393218e-19 -6.8769426572865e-20 ] } }