{ "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 5.197021 5.17068 5.14288 5.113451 5.082189 5.048852 5.013144 4.974701 4.93307 4.887675 4.837764 4.782341 4.720035 4.648891 4.565979 4.46662 4.342633 4.17764 ] "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 5.197021e-10 5.17068e-10 5.14288e-10 5.113451000000001e-10 5.082189e-10 5.048852e-10 5.013144e-10 4.974701e-10 4.93307e-10 4.887675e-10 4.837764e-10 4.782341e-10 4.720035e-10 4.648891e-10 4.5659789999999996e-10 4.46662e-10 4.3426330000000003e-10 4.1776400000000005e-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 3.01041 3.00841 3.00478 2.99918 2.9912 2.98031 2.96583 2.94687 2.92223 2.89034 2.84901 2.79527 2.725 2.63258 2.51098 2.35213 2.14474 1.85531 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4600603501817985e-19 1.9942612834421762e-19 2.406933915661632e-19 2.756432723722944e-19 3.065188180317312e-19 3.337926706476096e-19 3.57621843528768e-19 3.7818257610349443e-19 3.9576966887001604e-19 4.107932790432576e-19 4.2364593989531525e-19 4.346480867503488e-19 4.440544656910656e-19 4.5207015532492805e-19 4.588617820204992e-19 4.645655307905472e-19 4.692999627050112e-19 4.731612083611393e-19 4.762421940029376e-19 4.786198241082048e-19 4.803645944482561e-19 4.815405920879232e-19 4.822086997387969e-19 4.824185848761216e-19 4.823208521022528e-19 4.820004167780928e-19 4.814188266647424e-19 4.805216077570944e-19 4.792430708136961e-19 4.774983004736448e-19 4.751783487267264e-19 4.721406218536896e-19 4.681928586600384e-19 4.630835174163073e-19 4.564617214425408e-19 4.478516242823616e-19 4.365931291680001e-19 4.2178581283856643e-19 4.023033451296384e-19 3.768527695082304e-19 3.4362522856945923e-19 2.972534306336448e-19 ] } }