{ "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" [ 7.83308 7.308234 6.982955 6.746623 6.560895 6.407875 6.277751 6.164554 6.064383 5.974547 5.893112 5.818639 5.750032 5.686433 5.627162 5.571665 5.519492 5.470266 5.423673 5.379444 5.337352 5.297199 5.258815 5.22205 5.184883 5.146581 5.107075 5.066285 5.024126 4.980501 4.935306 4.888424 4.839723 4.789056 4.736259 4.681144 4.623498 4.563078 4.499603 4.432747 4.36213 4.287304 4.207735 4.122781 4.031658 3.933402 3.826799 3.710299 3.581874 3.438802 3.277306 3.091929 2.874362 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.83308e-10 7.308234e-10 6.982955e-10 6.746623e-10 6.560895000000001e-10 6.407875e-10 6.277751000000001e-10 6.164554e-10 6.064383e-10 5.974547000000001e-10 5.893112000000001e-10 5.818639e-10 5.750032000000001e-10 5.686433e-10 5.627162e-10 5.571665000000001e-10 5.519492e-10 5.470266e-10 5.423673e-10 5.379444000000001e-10 5.337352e-10 5.297199e-10 5.258815e-10 5.222050000000001e-10 5.184883e-10 5.146581000000001e-10 5.107075e-10 5.066285e-10 5.024126e-10 4.980501000000001e-10 4.935306e-10 4.888424e-10 4.839723e-10 4.789056000000001e-10 4.736259000000001e-10 4.681144e-10 4.623498e-10 4.563078e-10 4.4996029999999996e-10 4.432747e-10 4.3621299999999996e-10 4.287304e-10 4.2077349999999996e-10 4.122781e-10 4.031658e-10 3.933402e-10 3.826799e-10 3.7102990000000003e-10 3.5818740000000003e-10 3.438802e-10 3.277306e-10 3.091929e-10 2.874362e-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" [ 0.911298 1.24472 1.50229 1.72043 1.91314 2.08337 2.2321 2.36043 2.4702 2.56397 2.64419 2.71286 2.77157 2.8216 2.86399 2.89959 2.92914 2.95324 2.97247 2.98731 2.9982 3.00554 3.00971 3.01102 3.00966 3.00536 2.99773 2.98632 2.9706 2.94996 2.92367 2.89091 2.85076 2.80223 2.74429 2.67601 2.59675 2.50651 2.40594 2.29615 2.17776 2.05012 1.9102 1.75109 1.56135 1.31693 0.96513 0.410335 -0.524081 -2.17452 -5.19575 -10.9374 -22.1082 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.460060362210932e-19 1.99426129987248e-19 2.4069339354918597e-19 2.7564327464326195e-19 3.06518820557076e-19 3.33792673397658e-19 3.5762184647514e-19 3.7818257921926197e-19 3.9576967213068e-19 4.1079328242769795e-19 4.2364594338564597e-19 4.34648090331324e-19 4.44054469349538e-19 4.5207015904944e-19 4.58861785800966e-19 4.6456553461800595e-19 4.692999665714759e-19 4.73161212259416e-19 4.762421979265979e-19 4.786198280514539e-19 4.8036459840588e-19 4.815405960552359e-19 4.82208703711614e-19 4.82418588850668e-19 4.82200692828444e-19 4.81511756875824e-19 4.802892961040819e-19 4.78461212564688e-19 4.7594259089604e-19 4.72635698323464e-19 4.68423575952678e-19 4.631748452996939e-19 4.56742106114184e-19 4.48966742909382e-19 4.39683731491986e-19 4.28744069435034e-19 4.1604521743394997e-19 4.01587175488734e-19 3.85474085080596e-19 3.6788378781591e-19 3.48915618645984e-19 3.28465436089608e-19 3.0604778062667997e-19 2.8055554820310596e-19 2.5015584874958997e-19 2.1099544746136196e-19 1.54630873477242e-19 6.574291491123899e-20 -8.39670332523354e-20 -3.4839651341656796e-19 -8.3245092461055e-19 -1.75236467167116e-18 -3.5421241459798796e-18 ] } }