{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 9.14633 8.533491 8.153679 7.877724 7.660858 7.482184 7.330244 7.198069 7.081104 6.976207 6.881118 6.79416 6.71405 6.639789 6.57058 6.50578 6.444859 6.387381 6.332975 6.281332 6.232182 6.185298 6.140479 6.09755 6.054151 6.009429 5.963299 5.91567 5.866443 5.815504 5.762732 5.70799 5.651124 5.591963 5.530314 5.465958 5.398648 5.328098 5.253981 5.175916 5.093461 5.00609 4.91318 4.813983 4.707583 4.592854 4.468379 4.332347 4.182391 4.015332 3.82676 3.610303 3.356261 3.04878 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.146330000000001e-10 8.533491e-10 8.153679000000001e-10 7.877724e-10 7.660858e-10 7.482184e-10 7.330244000000001e-10 7.198069000000001e-10 7.081104e-10 6.976207e-10 6.881118e-10 6.79416e-10 6.71405e-10 6.639789000000001e-10 6.57058e-10 6.50578e-10 6.444859000000001e-10 6.387381e-10 6.332975e-10 6.281332e-10 6.232182e-10 6.185298000000001e-10 6.140479e-10 6.09755e-10 6.054151000000001e-10 6.009429e-10 5.963299e-10 5.91567e-10 5.866443000000001e-10 5.815504e-10 5.762732e-10 5.70799e-10 5.651124000000001e-10 5.591963e-10 5.530314e-10 5.465958e-10 5.398648e-10 5.328098e-10 5.253981e-10 5.175916000000001e-10 5.093461e-10 5.006090000000001e-10 4.91318e-10 4.813983000000001e-10 4.707583e-10 4.592854e-10 4.468379e-10 4.3323470000000006e-10 4.182391e-10 4.015332e-10 3.8267600000000003e-10 3.6103030000000004e-10 3.356261e-10 3.0487799999999997e-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" [ 1.66959 2.10832 2.36879 2.55633 2.70432 2.82558 2.92462 3.00515 3.07365 3.14204 3.20906 3.27184 3.32869 3.37859 3.42105 3.45649 3.48579 3.50965 3.52867 3.54334 3.5541 3.56129 3.56521 3.56625 3.56561 3.5644 3.56267 3.55959 3.55417 3.54521 3.53124 3.51048 3.48077 3.43958 3.38477 3.31454 3.22675 3.11887 2.98788 2.8298 2.63937 2.41173 2.14578 1.83156 1.45303 0.989842 0.429791 -0.288594 -1.27941 -2.65516 -4.59424 -7.76625 -13.4955 -24.3393 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6749780863600596e-19 3.3779010409948796e-19 3.79521998885286e-19 4.0956921947932196e-19 4.33279831485888e-19 4.52707825349772e-19 4.68575782732908e-19 4.814781111665099e-19 4.9245302110941e-19 5.03410307109336e-19 5.14148094910404e-19 5.24206559818656e-19 5.33314933982946e-19 5.41309795386606e-19 5.4811263737457e-19 5.53790751365466e-19 5.58485128903086e-19 5.6230792235181e-19 5.65355262309678e-19 5.67705655431756e-19 5.694295974899399e-19 5.705815624897859e-19 5.712096157303139e-19 5.7137624210025e-19 5.712737027956739e-19 5.7107983942296e-19 5.708026628652779e-19 5.70309192462006e-19 5.69440812726378e-19 5.68005262462314e-19 5.657670217046159e-19 5.624409030124319e-19 5.57680836232818e-19 5.510814706773719e-19 5.42299940546418e-19 5.31047854045836e-19 5.1698234537595e-19 4.996980638483579e-19 4.78711152119592e-19 4.533839438893199e-19 4.2287369424805795e-19 3.8640174535168197e-19 3.4379185777045196e-19 2.93448263576904e-19 2.32801071450102e-19 1.5859017237518278e-19 6.88601097703494e-20 -4.62378563512596e-20 -2.0498408073059398e-19 -4.2540353115314395e-19 -7.36078397898816e-19 -1.24429042838025e-18 -2.1622174764146997e-18 -3.89958577479162e-18 ] } }