{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ta" "Ta" ] } "a" { "source-value" [ 4.98516 4.651136 4.444121 4.293714 4.175512 4.078127 3.995313 3.923272 3.85952 3.802347 3.750519 3.703123 3.65946 3.618984 3.581262 3.545943 3.512739 3.481411 3.451757 3.423609 3.396821 3.371267 3.346838 3.32344 3.307511 3.290747 3.273054 3.254325 3.234429 3.213212 3.190487 3.166021 3.139526 3.110635 3.07887 3.043598 3.003945 2.958666 2.905899 2.842664 2.763756 2.65875 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.98516e-10 4.651136e-10 4.444121e-10 4.2937139999999997e-10 4.1755120000000004e-10 4.0781270000000004e-10 3.995313e-10 3.923272e-10 3.85952e-10 3.8023470000000004e-10 3.7505190000000005e-10 3.7031230000000005e-10 3.6594600000000003e-10 3.618984e-10 3.581262e-10 3.545943e-10 3.512739e-10 3.4814110000000004e-10 3.451757e-10 3.423609e-10 3.396821e-10 3.3712670000000004e-10 3.346838e-10 3.3234400000000005e-10 3.307511e-10 3.2907470000000003e-10 3.273054e-10 3.254325e-10 3.234429e-10 3.213212e-10 3.190487e-10 3.166021e-10 3.1395260000000004e-10 3.110635e-10 3.0788700000000003e-10 3.043598e-10 3.003945e-10 2.9586660000000004e-10 2.905899e-10 2.8426640000000003e-10 2.7637559999999997e-10 2.65875e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.632511 1.86257 2.47083 3.12902 3.78496 4.33605 4.75513 5.0866 5.3997 5.73296 6.09264 6.45878 6.8123 7.14178 7.43951 7.65055 7.7827 7.87089 7.93522 7.98556 8.02418 8.05158 8.06798 8.07346 8.07114 8.06373 8.05017 8.02886 7.99787 7.95489 7.89697 7.82034 7.71992 7.5853 7.3971 7.12623 6.72763 6.13479 5.249 3.97336 0.581754 -5.4719 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0133943365988289e-19 2.9841661086034563e-19 3.958706059971264e-19 5.013242690015617e-19 6.064174422663168e-19 6.947117936619841e-19 7.618558114864705e-19 8.149631599361281e-19 8.651273099333761e-19 9.185214479981569e-19 9.761485366950912e-19 1.0348106314890624e-18 1.091450779387584e-18 1.1442392946897025e-18 1.1919408992207809e-18 1.225753234626144e-18 1.246925998670016e-18 1.2610555942888514e-18 1.2713623964904576e-18 1.279427753599565e-18 1.2856153597090943e-18 1.2900053236500864e-18 1.2926328933081985e-18 1.293510886096397e-18 1.2931391811203712e-18 1.2919519682443585e-18 1.2897794167465537e-18 1.286365178367629e-18 1.2814000330197696e-18 1.2745138779035713e-18 1.2652340709158975e-18 1.2529565914707073e-18 1.2368675338446337e-18 1.2152990321754241e-18 1.185146068171968e-18 1.1417479100443584e-18 1.0778851499392705e-18 9.829017111517633e-19 8.4098250825791995e-19 6.366024498021889e-19 9.320726578568832e-20 -8.76695025135552e-19 ] } }