{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ti" ] } "a" { "source-value" [ 4.18405 3.903704 3.729957 3.60372 3.504513 3.422778 3.353272 3.292808 3.239302 3.191316 3.147817 3.108038 3.071391 3.03742 3.00576 2.976117 2.948248 2.921955 2.897067 2.873442 2.850958 2.829511 2.809008 2.78937 2.776001 2.761931 2.747082 2.731362 2.714664 2.696857 2.677783 2.657249 2.635012 2.610764 2.584104 2.5545 2.52122 2.483218 2.43893 2.385858 2.319631 2.2315 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.18405e-10 3.903704e-10 3.7299570000000003e-10 3.6037200000000004e-10 3.504513e-10 3.422778e-10 3.353272e-10 3.292808e-10 3.239302e-10 3.191316e-10 3.147817e-10 3.108038e-10 3.071391e-10 3.03742e-10 3.0057600000000003e-10 2.976117e-10 2.948248e-10 2.921955e-10 2.897067e-10 2.873442e-10 2.850958e-10 2.8295110000000003e-10 2.8090080000000003e-10 2.78937e-10 2.776001e-10 2.761931e-10 2.7470819999999997e-10 2.731362e-10 2.714664e-10 2.696857e-10 2.677783e-10 2.6572490000000005e-10 2.6350120000000004e-10 2.6107640000000003e-10 2.584104e-10 2.5545000000000003e-10 2.52122e-10 2.483218e-10 2.43893e-10 2.385858e-10 2.3196310000000002e-10 2.2315e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.47611 1.85769 2.12819 2.33991 2.51848 2.66827 2.79596 2.90691 3.00407 3.08951 3.16478 3.2311 3.28941 3.34049 3.38497 3.42339 3.45619 3.48375 3.50641 3.52446 3.53814 3.54769 3.55329 3.55513 3.55424 3.55129 3.54582 3.53719 3.52463 3.50708 3.48316 3.45101 3.40803 3.35057 3.27332 3.16829 3.02297 2.81675 2.5134 2.04347 1.25661 -0.239078 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.364988931729088e-19 2.976347486693952e-19 3.4097362626203524e-19 3.7489490967761287e-19 4.035049775952384e-19 4.2750398119820166e-19 4.479621744691968e-19 4.657383240769728e-19 4.813050721246656e-19 4.949940691727808e-19 5.0705365259754245e-19 5.176792879466881e-19 5.270215798225729e-19 5.352054980016192e-19 5.423319796109376e-19 5.484875421880512e-19 5.537426815042753e-19 5.581582802712001e-19 5.617888124939328e-19 5.646807412944768e-19 5.668725189117312e-19 5.684025975845952e-19 5.692998164922433e-19 5.695946169904704e-19 5.694520232712192e-19 5.689793811680832e-19 5.681029905565056e-19 5.667203121327552e-19 5.647079782970305e-19 5.618961583275265e-19 5.5806375185057285e-19 5.529127540147008e-19 5.460265988985024e-19 5.368204920353856e-19 5.244436776397057e-19 5.076160165914432e-19 4.843331859379776e-19 4.5129309966384e-19 4.02691071871872e-19 3.2739998593061764e-19 2.0133111634634882e-19 -3.8304518214762246e-20 ] } }