{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.84613 5.454418 5.21165 5.035266 4.89665 4.782446 4.68533 4.600847 4.526085 4.459037 4.398259 4.342677 4.291473 4.244007 4.19977 4.158351 4.119412 4.082673 4.047899 4.014889 3.983474 3.953506 3.924859 3.89742 3.87874 3.859081 3.838333 3.816369 3.793037 3.768156 3.741506 3.712815 3.681744 3.647864 3.610614 3.56925 3.522749 3.469651 3.407771 3.333616 3.24108 3.11794 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.846129999999999e-10 5.454418000000001e-10 5.21165e-10 5.035266000000001e-10 4.89665e-10 4.782446e-10 4.685330000000001e-10 4.6008470000000003e-10 4.5260850000000004e-10 4.4590370000000007e-10 4.3982590000000006e-10 4.3426770000000003e-10 4.291473e-10 4.244007e-10 4.19977e-10 4.1583509999999997e-10 4.119412e-10 4.082673e-10 4.047899e-10 4.0148890000000004e-10 3.983474e-10 3.953506e-10 3.9248590000000004e-10 3.89742e-10 3.87874e-10 3.8590810000000003e-10 3.838333e-10 3.816369e-10 3.793037e-10 3.768156e-10 3.7415060000000003e-10 3.712815e-10 3.6817440000000004e-10 3.6478640000000003e-10 3.610614e-10 3.56925e-10 3.5227490000000003e-10 3.469651e-10 3.407771e-10 3.333616e-10 3.24108e-10 3.11794e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.225388 0.795329 1.50054 2.18904 2.77655 3.2295 3.54612 3.74215 3.84123 3.8688 3.85826 3.82852 3.78332 3.72757 3.66159 3.5811 3.48252 3.36108 3.21031 3.02125 2.78108 2.47094 2.06196 1.50764 0.728401 -0.423901 -2.25905 -5.54995 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6111138718399197e-20 1.2742575401425857e-19 2.40413012638236e-19 3.5072287388913598e-19 4.4485235331327e-19 5.174229439502999e-19 5.68151060536008e-19 5.995585290923099e-19 6.154328951819819e-19 6.198500961619199e-19 6.18161401989684e-19 6.13396528680168e-19 6.061546902944879e-19 5.97222555559938e-19 5.866513941288059e-19 5.7375547440174e-19 5.57961217143768e-19 5.385043841004719e-19 5.14348366989654e-19 4.8405761554725e-19 4.45578139328472e-19 3.95888233201596e-19 3.30362413224264e-19 2.41550558048376e-19 1.1670270623822339e-19 -6.791642773292339e-20 -3.6193971250376992e-19 -8.8920002098683e-19 ] } }