{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.4876 5.119911 4.892031 4.726465 4.59635 4.48915 4.397989 4.318687 4.24851 4.185574 4.128523 4.07635 4.028287 3.983731 3.942208 3.903329 3.866778 3.832292 3.79965 3.768665 3.739176 3.711047 3.684156 3.6584 3.640866 3.622412 3.602936 3.582319 3.560418 3.537063 3.512047 3.485115 3.45595 3.424147 3.389182 3.350354 3.306705 3.256863 3.198777 3.12917 3.042309 2.92672 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.4876e-10 5.119911e-10 4.892031000000001e-10 4.726465e-10 4.5963500000000004e-10 4.4891500000000005e-10 4.3979890000000003e-10 4.318687e-10 4.24851e-10 4.185574e-10 4.1285230000000004e-10 4.07635e-10 4.028287e-10 3.9837310000000005e-10 3.942208e-10 3.903329e-10 3.866778e-10 3.832292e-10 3.7996500000000004e-10 3.768665e-10 3.739176e-10 3.7110470000000004e-10 3.6841560000000005e-10 3.6584e-10 3.640866e-10 3.6224120000000005e-10 3.602936e-10 3.582319e-10 3.560418e-10 3.537063e-10 3.512047e-10 3.4851150000000003e-10 3.4559500000000004e-10 3.424147e-10 3.389182e-10 3.350354e-10 3.306705e-10 3.256863e-10 3.1987770000000003e-10 3.1291699999999996e-10 3.042309e-10 2.92672e-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" [ 0.925382 1.38862 1.75875 2.06888 2.33509 2.56685 2.77041 2.95016 3.10938 3.25058 3.37574 3.4865 3.58418 3.66995 3.74476 3.80934 3.86445 3.91072 3.94871 3.97891 4.00177 4.01766 4.02697 4.03 4.02853 4.0237 4.01473 4.00065 3.98022 3.95181 3.91329 3.86179 3.79338 3.70258 3.58152 3.41853 3.19563 2.88371 2.43269 1.74899 0.63622 -1.39657 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.482625417924188e-19 2.22481451750508e-19 2.8178281550475e-19 3.31471119454992e-19 3.74122663628706e-19 4.1125470929828996e-19 4.43868616859994e-19 4.726677418561439e-19 4.98177598222692e-19 5.208003322947719e-19 5.408531750459159e-19 5.5859888344409995e-19 5.742489448050119e-19 5.8799081379483e-19 5.99976697193784e-19 6.10323553896156e-19 6.191531493261299e-19 6.265664206116479e-19 6.32653089644214e-19 6.37491663078894e-19 6.411542388642179e-19 6.43700097535644e-19 6.45191723981898e-19 6.45677183502e-19 6.45441663536802e-19 6.446678122225799e-19 6.43230659781882e-19 6.4097479508121e-19 6.377015482179479e-19 6.33149764400754e-19 6.26978180006586e-19 6.18726970341486e-19 6.07766479988292e-19 5.93218716151572e-19 5.738227658203679e-19 5.477088888628019e-19 5.11996371690942e-19 4.62021278123214e-19 3.89759907576546e-19 2.80219091109966e-19 1.01933681808348e-19 -2.23755182174538e-19 ] } }