{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.49982 6.997304 6.685865 6.459588 6.281762 6.135253 6.010665 5.902284 5.806375 5.720361 5.642391 5.571086 5.505398 5.444506 5.387756 5.33462 5.284667 5.237535 5.192924 5.150577 5.110276 5.071832 5.035081 4.99988 4.975916 4.950695 4.924078 4.895901 4.865969 4.83405 4.799861 4.763054 4.723194 4.679729 4.631942 4.578877 4.519221 4.451103 4.371718 4.276586 4.157874 3.9999 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.49982e-10 6.997304e-10 6.685865e-10 6.459588e-10 6.281762e-10 6.135253e-10 6.010665000000001e-10 5.902284e-10 5.806375e-10 5.720361e-10 5.642391e-10 5.571086e-10 5.505398e-10 5.444506e-10 5.387756e-10 5.334620000000001e-10 5.284667e-10 5.237535000000001e-10 5.192924e-10 5.150577000000001e-10 5.110276e-10 5.071832e-10 5.035081e-10 4.99988e-10 4.975916e-10 4.950695e-10 4.924078e-10 4.895901000000001e-10 4.865969e-10 4.83405e-10 4.799861e-10 4.763054000000001e-10 4.723194000000001e-10 4.679729e-10 4.6319419999999997e-10 4.5788770000000005e-10 4.519221e-10 4.451103e-10 4.3717180000000006e-10 4.276586e-10 4.1578739999999997e-10 3.9999e-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" [ 0.979389 1.22414 1.40457 1.57735 1.77206 1.95911 2.12654 2.26634 2.38032 2.47418 2.55409 2.62783 2.69825 2.76464 2.82583 2.88106 2.93002 2.97271 3.0093 3.04008 3.06539 3.08546 3.09917 3.10407 3.10164 3.09381 3.07984 3.05907 3.03081 2.99422 2.94827 2.89157 2.82234 2.73852 2.63768 2.51591 2.3666 2.17881 1.9335 1.59192 1.09654 0.307659 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5691541584686912e-19 1.961288488586112e-19 2.2503692162770565e-19 2.52719329281888e-19 2.8391531026548482e-19 3.138840239575488e-19 3.407092671196032e-19 3.631076962783872e-19 3.8136930540226566e-19 3.964073351650944e-19 4.092103285419072e-19 4.210247789436864e-19 4.3230730670736e-19 4.429441572928512e-19 4.527478760355264e-19 4.615966975122049e-19 4.694409542476416e-19 4.762806462418368e-19 4.821430104973441e-19 4.870745101361664e-19 4.911296191634112e-19 4.943451876413568e-19 4.965417717884736e-19 4.973268383326657e-19 4.969375094138113e-19 4.956830051197248e-19 4.934447643804672e-19 4.901170435390657e-19 4.855892924086848e-19 4.797269281531776e-19 4.723649265806017e-19 4.6328058514066565e-19 4.521887163948673e-19 4.387592719593216e-19 4.226029229151744e-19 4.030932182036928e-19 3.79171119078528e-19 3.490838443165248e-19 3.0978084963168e-19 2.550537006183936e-19 1.756850751772032e-19 4.9292405697870726e-20 ] } }