{ "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 3.611113842088704e-20 1.2742575296442432e-19 2.404130106575232e-19 3.507228709996032e-19 4.44852349648224e-19 5.1742293968736e-19 5.681510558551296e-19 5.99558524152672e-19 6.154328901115584e-19 6.19850091055104e-19 6.181613968967809e-19 6.133965236265216e-19 6.061546853005056e-19 5.972225506395457e-19 5.8665138929550725e-19 5.737554696746881e-19 5.579612125468416e-19 5.385043796638464e-19 5.143483627520449e-19 4.840576115592001e-19 4.455781356574465e-19 3.958882299399552e-19 3.303624105024768e-19 2.415505560582912e-19 1.1670270527673409e-19 -6.791642717337408e-20 -3.61939709521824e-19 -8.89200013660896e-19 ] } }