{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.16314 8.549176 8.168665 7.892204 7.674939 7.495937 7.343718 7.211301 7.094121 6.989031 6.893767 6.806649 6.726393 6.651995 6.582659 6.51774 6.456707 6.399123 6.344618 6.292879 6.24364 6.196669 6.151767 6.10876 6.065281 6.020477 5.974262 5.926546 5.877227 5.826195 5.773326 5.718483 5.661512 5.602242 5.54048 5.476006 5.408572 5.337892 5.263639 5.185431 5.102823 5.015291 4.922211 4.822831 4.716236 4.601295 4.476591 4.340309 4.190077 4.02271 3.833791 3.616937 3.362427 3.05438 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.16314e-10 8.549175999999999e-10 8.168665000000001e-10 7.892204000000001e-10 7.674939e-10 7.495937e-10 7.343718e-10 7.211301e-10 7.094121000000001e-10 6.989031e-10 6.893767e-10 6.806649e-10 6.726393e-10 6.651995000000001e-10 6.582659e-10 6.51774e-10 6.456707e-10 6.399123e-10 6.344618e-10 6.292879000000001e-10 6.24364e-10 6.196669e-10 6.151767e-10 6.10876e-10 6.065281e-10 6.020477e-10 5.974262000000001e-10 5.926546e-10 5.877227e-10 5.826195e-10 5.773326e-10 5.718483e-10 5.661512e-10 5.602242e-10 5.540479999999999e-10 5.476006e-10 5.408572000000001e-10 5.337892e-10 5.263639e-10 5.185431e-10 5.102823e-10 5.015291e-10 4.922211e-10 4.822831e-10 4.716236000000001e-10 4.6012950000000004e-10 4.476591e-10 4.340309000000001e-10 4.1900769999999997e-10 4.02271e-10 3.8337910000000005e-10 3.616937e-10 3.362427e-10 3.05438e-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" [ 1.34745 1.63549 1.82418 1.96201 2.07267 2.18041 2.26075 2.32311 2.37499 2.41874 2.45575 2.48706 2.51357 2.53609 2.5559 2.57514 2.59501 2.61265 2.62557 2.63447 2.64055 2.64453 2.64676 2.64747 2.64673 2.64438 2.64019 2.63391 2.62521 2.61375 2.59908 2.58072 2.55807 2.53041 2.49701 2.45707 2.41059 2.35771 2.29335 2.21326 2.11621 2.00041 1.8689 1.71329 1.51312 1.26525 0.960479 0.616003 0.172843 -0.369768 -1.07857 -1.90446 -2.80511 -3.38995 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1588529054833e-19 2.62034386314066e-19 2.92265857221012e-19 3.1434865776743396e-19 3.32078344399278e-19 3.49340195453994e-19 3.6221208253154995e-19 3.722032560211739e-19 3.8051534839836595e-19 3.87524871172116e-19 3.9345452689455e-19 3.98470941935604e-19 4.02718312192338e-19 4.06326413972106e-19 4.095003258840599e-19 4.1258291372787603e-19 4.1576643869963393e-19 4.1859267828200994e-19 4.20662690493138e-19 4.2208862769739794e-19 4.2306275109087e-19 4.2370041739120197e-19 4.2405770278058396e-19 4.24171457321598e-19 4.2405289625068194e-19 4.23676384741692e-19 4.2300507273204596e-19 4.21998905805894e-19 4.2060501213431397e-19 4.1876891771175e-19 4.1641852458967194e-19 4.1347692828964795e-19 4.0984799821363796e-19 4.0541637764399393e-19 4.0006510768643395e-19 3.9366601421023794e-19 3.86219097215406e-19 3.77746787174814e-19 3.6743517835839e-19 3.54603345696684e-19 3.39054221463714e-19 3.20501016041994e-19 2.9943079112826e-19 2.7449932052658596e-19 2.42428550843808e-19 2.0271539861684998e-19 1.538857011247686e-19 9.869456130739018e-20 2.7692501595046195e-20 -5.92433649600912e-20 -1.72805965213338e-19 -3.0512813123876397e-19 -4.49428169779974e-19 -5.4312986804283e-19 ] } }