{ "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.19949 5.784101 5.526659 5.339614 5.192619 5.071512 4.968525 4.878935 4.799655 4.728554 4.664102 4.605161 4.550861 4.500526 4.453616 4.409693 4.368401 4.329441 4.292564 4.257559 4.224246 4.192467 4.162087 4.13299 4.113181 4.092333 4.070331 4.047039 4.022297 3.995912 3.967651 3.937225 3.904277 3.868348 3.828846 3.784982 3.73567 3.679362 3.613741 3.535103 3.436974 3.30639 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.19949e-10 5.784101e-10 5.526659000000001e-10 5.339614e-10 5.192619e-10 5.071512e-10 4.968525e-10 4.878935e-10 4.799655e-10 4.728554e-10 4.664102e-10 4.605161e-10 4.550861e-10 4.500526e-10 4.4536160000000005e-10 4.409693e-10 4.3684010000000005e-10 4.329441e-10 4.2925639999999996e-10 4.2575589999999997e-10 4.224246e-10 4.192467e-10 4.162087e-10 4.1329900000000005e-10 4.113181e-10 4.092333e-10 4.0703310000000005e-10 4.047039e-10 4.022297e-10 3.9959120000000003e-10 3.967651e-10 3.9372250000000003e-10 3.904277e-10 3.8683480000000003e-10 3.828846e-10 3.784982e-10 3.73567e-10 3.679362e-10 3.6137410000000003e-10 3.535103e-10 3.436974e-10 3.30639e-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" [ 1.70781 2.28498 2.70681 3.03976 3.31297 3.54237 3.73785 3.90605 4.05168 4.17824 4.28842 4.3843 4.4676 4.53968 4.60171 4.65465 4.69932 4.73644 4.7666 4.79035 4.80816 4.82044 4.82758 4.82988 4.82878 4.82515 4.81845 4.808 4.79294 4.77213 4.74411 4.70694 4.65798 4.59359 4.50858 4.39539 4.24246 4.03142 3.73113 3.28445 2.57412 1.31496 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7362132547684483e-19 3.6609415349955844e-19 4.336787698947648e-19 4.870232404843008e-19 5.307963079411776e-19 5.675502396223297e-19 5.98869588205728e-19 6.258181989675841e-19 6.491506970962944e-19 6.694278444091392e-19 6.870806264171137e-19 7.02442295857344e-19 7.15788427108608e-19 7.273369161913344e-19 7.372752177701568e-19 7.45757140800672e-19 7.529140637657857e-19 7.5886134338219525e-19 7.636935080705281e-19 7.67498677544928e-19 7.703521541065728e-19 7.723196269969152e-19 7.734635811041665e-19 7.738320817269505e-19 7.736558422986624e-19 7.73074252185312e-19 7.720007938493761e-19 7.7032651928064e-19 7.6791364128971525e-19 7.645795117418304e-19 7.600902128503489e-19 7.541349223508353e-19 7.462906656153985e-19 7.359742503540672e-19 7.223541469006465e-19 7.042191097298112e-19 6.797170226679169e-19 6.459046872625536e-19 5.977929255165504e-19 5.2622690021865605e-19 4.1241948831336964e-19 2.106798169287168e-19 ] } }