{ "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" [ "Tc" "Tc" "Tc" "Tc" ] } "a" { "source-value" [ 6.0649 5.65853 5.406678 5.223694 5.079891 4.961414 4.860663 4.773018 4.69546 4.625903 4.56285 4.505188 4.452068 4.402826 4.356934 4.313965 4.273569 4.235455 4.199379 4.165135 4.132544 4.101455 4.071736 4.04327 4.014492 3.984837 3.954248 3.922666 3.890023 3.856245 3.821252 3.784952 3.747245 3.708015 3.667135 3.624461 3.579828 3.533046 3.483899 3.432135 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.0649e-10 5.65853e-10 5.406678000000001e-10 5.223694e-10 5.079891e-10 4.961414e-10 4.860663e-10 4.773018000000001e-10 4.69546e-10 4.6259030000000005e-10 4.5628500000000004e-10 4.5051880000000004e-10 4.4520679999999997e-10 4.402826e-10 4.356934e-10 4.313965e-10 4.2735690000000006e-10 4.235455e-10 4.1993790000000005e-10 4.165135e-10 4.1325440000000005e-10 4.101455e-10 4.0717359999999996e-10 4.0432699999999996e-10 4.014492e-10 3.9848370000000005e-10 3.9542480000000005e-10 3.9226660000000003e-10 3.890023e-10 3.856245e-10 3.821252e-10 3.784952e-10 3.747245e-10 3.708015e-10 3.667135e-10 3.624461e-10 3.579828e-10 3.5330460000000003e-10 3.4838990000000004e-10 3.4321350000000003e-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" [ 4.57116 6.83023 8.82929 10.6587 12.3584 13.9485 15.4473 16.8577 18.1827 19.428 20.5925 21.6762 22.68 23.6046 24.4473 25.2071 25.8829 26.4751 26.9803 27.3968 27.7228 27.9578 28.1027 28.1514 28.0965 27.9126 27.5657 27.013 26.1992 25.054 23.4865 21.3814 18.5788 14.8707 9.97982 3.52706 -5.00621 -16.3435 -31.5173 -52.0114 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.323805742275439e-19 1.0943234910845819e-18 1.414608213280986e-18 1.70771200888158e-18 1.9800339713625598e-18 2.2347960779348998e-18 2.47493031183882e-18 2.70090130429818e-18 2.91318970830318e-18 3.1127087645352e-18 3.2992822335645e-18 3.47291011539108e-18 3.633736605912e-18 3.78187385749164e-18 3.916889282438819e-18 4.03862266309014e-18 4.146897760015859e-18 4.24177866028134e-18 4.322720623831019e-18 4.3894512806371196e-18 4.441682238905519e-18 4.47933338980452e-18 4.502548929231179e-18 4.51035152943876e-18 4.501555579718099e-18 4.4720915514188395e-18 4.4165120439853794e-18 4.3279597414242e-18 4.1975746069492795e-18 4.014093338823599e-18 3.762952151444099e-18 3.4256779482207596e-18 2.97665192477592e-18 2.38254880712238e-18 1.598943441552588e-18 5.65097311871604e-19 -8.02083268689714e-19 -2.6185173817778996e-18 -5.0496281626768196e-18 -8.33314497816276e-18 ] } }