{ "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 3.182904 3.159391 3.135139 3.110099 3.084218 3.057437 3.029693 3.000913 2.971016 2.939913 2.907501 2.873667 2.838279 2.801188 2.762222 2.72118 2.67783 2.631896 2.58305 2.530898 2.474959 2.414641 2.3492 2.277682 2.198845 2.111015 2.011875 1.898075 1.764515 1.60286 ] "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 3.182904e-10 3.159391e-10 3.1351390000000004e-10 3.110099e-10 3.084218e-10 3.057437e-10 3.029693e-10 3.0009130000000005e-10 2.9710160000000003e-10 2.9399130000000004e-10 2.907501e-10 2.8736670000000005e-10 2.838279e-10 2.801188e-10 2.762222e-10 2.72118e-10 2.67783e-10 2.6318959999999997e-10 2.58305e-10 2.5308980000000004e-10 2.474959e-10 2.4146410000000003e-10 2.3492e-10 2.277682e-10 2.198845e-10 2.111015e-10 2.0118749999999998e-10 1.898075e-10 1.764515e-10 1.60286e-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 3.20305 3.19666 3.18503 3.16717 3.14187 3.10768 3.06285 3.00522 2.93211 2.84025 2.72549 2.58265 2.40511 2.18427 1.90885 1.56395 1.1296 0.578669 -0.126401 -1.03861 -2.23476 -3.82895 -5.9952 -9.00667 -13.305 -19.6294 -29.2603 -44.473 -69.3089 -110.322 ] "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 5.1318518675337e-19 5.121613958842439e-19 5.102980644589019e-19 5.074365769905779e-19 5.03383070106558e-19 4.97905228194912e-19 4.9072267034469e-19 4.81489326402948e-19 4.69775813031774e-19 4.5505821847185e-19 4.36671639420066e-19 4.1378614838001e-19 3.85341104419974e-19 3.49958635634718e-19 3.0583148678108995e-19 2.5057241467443e-19 1.8098187257663998e-19 9.27129950620146e-20 -2.02516728714234e-20 -1.6640366738387398e-19 -3.58048025459784e-19 -6.1346542227543e-19 -9.6053693561568e-19 -1.443027622414878e-18 -2.131696011537e-18 -3.14497660194396e-18 -4.68801689638302e-18 -7.125360144388199e-18 -1.1104510010824259e-17 -1.76755330616148e-17 ] } }