{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.41102 5.048462 4.823764 4.660508 4.532209 4.426505 4.336617 4.258421 4.189224 4.127167 4.070912 4.019467 3.972074 3.928141 3.887197 3.84886 3.81282 3.778815 3.746629 3.716076 3.686999 3.659262 3.632747 3.60735 3.59006 3.571864 3.55266 3.532331 3.510735 3.487706 3.463039 3.436483 3.407725 3.376366 3.341889 3.303603 3.260562 3.211416 3.154141 3.085505 2.999856 2.88588 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41102e-10 5.048462e-10 4.823764e-10 4.660508e-10 4.532209e-10 4.4265049999999997e-10 4.3366170000000006e-10 4.2584210000000005e-10 4.1892240000000003e-10 4.1271670000000003e-10 4.070912e-10 4.019467e-10 3.972074e-10 3.9281410000000003e-10 3.8871970000000004e-10 3.84886e-10 3.81282e-10 3.778815e-10 3.746629e-10 3.7160760000000003e-10 3.6869990000000005e-10 3.6592620000000003e-10 3.6327470000000003e-10 3.60735e-10 3.59006e-10 3.571864e-10 3.55266e-10 3.5323310000000004e-10 3.510735e-10 3.487706e-10 3.4630390000000004e-10 3.436483e-10 3.407725e-10 3.376366e-10 3.341889e-10 3.303603e-10 3.2605620000000004e-10 3.211416e-10 3.154141e-10 3.085505e-10 2.999856e-10 2.8858799999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.08678 1.49205 1.79912 2.04872 2.25858 2.43863 2.59492 2.73175 2.85205 2.95809 3.05166 3.13408 3.20654 3.27008 3.32532 3.37294 3.4135 3.4475 3.47536 3.49747 3.51422 3.52589 3.53271 3.53494 3.53386 3.53033 3.52377 3.51347 3.49851 3.47771 3.44955 3.41189 3.36183 3.29533 3.20663 3.087 2.92327 2.69363 2.36056 1.85344 1.02259 -0.511338 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7412135079530243e-19 2.39052762706464e-19 2.882508002013696e-19 3.282411286565376e-19 3.6186440722064637e-19 3.907115972781504e-19 4.1575201568463366e-19 4.3767459838704e-19 4.569487831352641e-19 4.739382640222272e-19 4.889298306630528e-19 5.021349703716864e-19 5.137443421660032e-19 5.239245724145664e-19 5.327749960678657e-19 5.404045611361152e-19 5.469029895100801e-19 5.523503900208e-19 5.568140540863488e-19 5.603564665949376e-19 5.630401124347776e-19 5.649098525512512e-19 5.660025370066368e-19 5.663598223930752e-19 5.661867873180288e-19 5.656212189708864e-19 5.645701911076416e-19 5.629199491882176e-19 5.605230929635008e-19 5.571905655922368e-19 5.526788362280641e-19 5.466450390741313e-19 5.386245429104064e-19 5.279700683820864e-19 5.137587617555904e-19 4.945919228409601e-19 4.683594850286017e-19 4.3156710110855044e-19 3.7820340439956484e-19 2.9695382360555523e-19 1.6383697906638723e-19 -8.192537889266303e-20 ] } }