{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28396 4.929915 4.710492 4.55107 4.425783 4.322561 4.234783 4.158424 4.090852 4.030251 3.975318 3.925081 3.8788 3.835899 3.795916 3.75848 3.723285 3.690079 3.658648 3.628813 3.600419 3.573333 3.54744 3.52264 3.505756 3.487987 3.469234 3.449382 3.428294 3.405806 3.381718 3.355785 3.327702 3.29708 3.263412 3.226025 3.183995 3.136003 3.080072 3.013048 2.92941 2.81811 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28396e-10 4.929915e-10 4.710492000000001e-10 4.55107e-10 4.425783e-10 4.3225610000000006e-10 4.2347830000000005e-10 4.158424e-10 4.090852e-10 4.030251e-10 3.9753180000000003e-10 3.9250810000000004e-10 3.8788e-10 3.835899e-10 3.795916e-10 3.7584800000000003e-10 3.7232850000000003e-10 3.690079e-10 3.658648e-10 3.6288130000000004e-10 3.600419e-10 3.573333e-10 3.54744e-10 3.52264e-10 3.505756e-10 3.487987e-10 3.4692340000000003e-10 3.449382e-10 3.428294e-10 3.405806e-10 3.381718e-10 3.3557850000000003e-10 3.327702e-10 3.29708e-10 3.2634120000000005e-10 3.226025e-10 3.183995e-10 3.1360030000000003e-10 3.080072e-10 3.013048e-10 2.92941e-10 2.81811e-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" [ 1.26398 1.74829 2.11793 2.41966 2.67439 2.89348 3.08423 3.25147 3.39887 3.52901 3.64396 3.74543 3.8347 3.91288 3.98106 4.03994 4.09014 4.13226 4.16681 4.19425 4.21499 4.22939 4.23783 4.2406 4.23926 4.23484 4.22665 4.21379 4.19513 4.16916 4.13391 4.08672 4.02404 3.94076 3.82951 3.67942 3.4736 3.18472 2.76521 2.12541 1.07527 -0.868563 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0251192051587842e-19 2.801069364378432e-19 3.393297930490944e-19 3.876722682284928e-19 4.284845132901312e-19 4.635866008752384e-19 4.941481199169984e-19 5.209429217232576e-19 5.445590051138496e-19 5.654097316569408e-19 5.838267519130368e-19 6.000840380842944e-19 6.143866687781761e-19 6.269124855995904e-19 6.378361258002048e-19 6.472697417434752e-19 6.553126683798912e-19 6.620610363067008e-19 6.675965565315648e-19 6.7199292917904e-19 6.753158434905793e-19 6.776229778245313e-19 6.789752148924864e-19 6.79419017816448e-19 6.792043261492608e-19 6.784961640828672e-19 6.771839814304321e-19 6.751235822960833e-19 6.721339207216704e-19 6.679730680374528e-19 6.623253954491329e-19 6.547647239755776e-19 6.447222809164033e-19 6.313793540183808e-19 6.135551391119808e-19 5.895080702103936e-19 5.56532071001088e-19 5.102483927794176e-19 4.430354813602369e-19 3.405282211614528e-19 1.722772455047616e-19 -1.3915913322919105e-19 ] } }