{ "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.8578 11.996285 11.462352 11.074421 10.769555 10.518379 10.304785 10.118976 9.954549 9.807087 9.673413 9.551169 9.438553 9.334158 9.236866 9.145771 9.06013 8.979328 8.902846 8.830246 8.761153 8.695244 8.632238 8.57189 8.530806 8.487567 8.441934 8.393626 8.342311 8.287589 8.228974 8.165871 8.097535 8.023019 7.941092 7.850116 7.747842 7.631059 7.494961 7.331865 7.128343 6.85751 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2857799999999999e-09 1.1996285e-09 1.1462351999999999e-09 1.1074421e-09 1.0769555e-09 1.0518379e-09 1.0304785e-09 1.0118976e-09 9.954549e-10 9.807087e-10 9.673413e-10 9.551169e-10 9.438553e-10 9.334158e-10 9.236866e-10 9.145771000000001e-10 9.06013e-10 8.979328000000001e-10 8.902846000000001e-10 8.830246000000001e-10 8.761153e-10 8.695244000000001e-10 8.632237999999999e-10 8.57189e-10 8.530806e-10 8.487567000000001e-10 8.441934e-10 8.393626e-10 8.342311000000001e-10 8.287589000000001e-10 8.228973999999999e-10 8.165871e-10 8.097535000000001e-10 8.023019e-10 7.941092e-10 7.850116000000001e-10 7.747842000000001e-10 7.631059e-10 7.494961e-10 7.331864999999999e-10 7.128343e-10 6.85751e-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" [ 0.00317298 0.00505304 0.00675951 0.00837903 0.00991465 0.01137 0.0127478 0.0140535 0.0152972 0.0164765 0.0175892 0.0186328 0.0196053 0.0205045 0.0213284 0.0220747 0.0227414 0.0233264 0.0238275 0.0242425 0.0245692 0.0248053 0.0249487 0.024997 0.0249727 0.0248906 0.0247348 0.0244836 0.0241076 0.023567 0.0228063 0.0217472 0.0202764 0.0182252 0.0153344 0.0111899 0.00509893 -0.00416493 -0.0189691 -0.0443731 -0.0929171 -0.203734 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.083674374265985e-22 8.0958625519672325e-22 1.0829928890063809e-21 1.3424685970981826e-21 1.5885020433414723e-21 1.8216748178496e-21 2.0424227126634242e-21 2.25161891404128e-21 2.4508816203701763e-21 2.6398263092611203e-21 2.818100501857536e-21 2.9853036540042243e-21 3.141115330377024e-21 3.28518305211936e-21 3.4171863839070724e-21 3.536756825117376e-21 3.643573940426112e-21 3.737301272742913e-21 3.8175863432112005e-21 3.8840766729744e-21 3.936419783175936e-21 3.974247173193024e-21 3.997222385935296e-21 4.00496089901376e-21 4.001067609825216e-21 3.987913739768448e-21 3.962951828016384e-21 3.922705151301888e-21 3.862463310359808e-21 3.775849642239361e-21 3.653972066695105e-21 3.4842855407861764e-21 3.2486374033989123e-21 2.9199989349404163e-21 2.4568417173995522e-21 1.792819616908992e-21 8.169386437095745e-22 -6.672953473268544e-22 -3.039184853761728e-21 -7.109354341242048e-21 -1.488696052925357e-20 -3.2641785166206723e-20 ] } }