{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 8.51382 7.943363 7.589816 7.332945 7.131076 6.964759 6.823326 6.700292 6.591416 6.493773 6.40526 6.324315 6.249746 6.18062 6.116198 6.055878 5.999171 5.945667 5.895024 5.846952 5.801202 5.75756 5.71584 5.67588 5.648676 5.620045 5.589829 5.557842 5.523864 5.487629 5.448818 5.407034 5.361785 5.312444 5.258196 5.197956 5.130235 5.052907 4.962789 4.854795 4.720032 4.5407 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.513820000000001e-10 7.943363e-10 7.589816e-10 7.332944999999999e-10 7.131076000000001e-10 6.964759e-10 6.823326e-10 6.700292000000001e-10 6.591416e-10 6.493773000000001e-10 6.40526e-10 6.324315e-10 6.249746e-10 6.180620000000001e-10 6.116198e-10 6.055878e-10 5.999170999999999e-10 5.945667e-10 5.895024e-10 5.846952e-10 5.801202e-10 5.75756e-10 5.71584e-10 5.675880000000001e-10 5.648676e-10 5.620045e-10 5.589829000000001e-10 5.557842e-10 5.523864e-10 5.487629000000001e-10 5.448818e-10 5.407034000000001e-10 5.361785e-10 5.312444000000001e-10 5.258196e-10 5.197955999999999e-10 5.130235e-10 5.052907e-10 4.962789e-10 4.854795e-10 4.720032e-10 4.5407e-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" [ 1.07717 1.46016 1.74171 1.96732 2.16018 2.34596 2.55129 2.7876 3.04781 3.31564 3.57521 3.81538 4.03023 4.21773 4.37827 4.51351 4.62561 4.71688 4.78952 4.84552 4.88667 4.91449 4.93035 4.93541 4.93303 4.92531 4.91123 4.88954 4.85864 4.81651 4.76053 4.68726 4.59215 4.46928 4.30887 4.09822 3.81793 3.43704 2.90357 2.12273 0.901211 -1.20665 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.72581660484578e-19 2.33943423390144e-19 2.79052706520414e-19 3.15199413560088e-19 3.4609899212341197e-19 3.7586422962986397e-19 4.0876172245578595e-19 4.466227584938399e-19 4.88312996687154e-19 5.31224093475576e-19 5.72811792364314e-19 6.11291268583092e-19 6.45714033564582e-19 6.75754845452082e-19 7.014761891343179e-19 7.23144025932534e-19 7.411044259996739e-19 7.557274921381919e-19 7.673657032075681e-19 7.763378923579679e-19 7.829308492068779e-19 7.873881046026659e-19 7.899291567441899e-19 7.907398581209939e-19 7.903585400821018e-19 7.891216597206539e-19 7.868657950199819e-19 7.83390673900836e-19 7.78439948101776e-19 7.71689977942734e-19 7.62720993145602e-19 7.50981844948284e-19 7.3574354298231e-19 7.16057598680352e-19 6.903570832943579e-19 6.56607232499148e-19 6.116998236247619e-19 5.50674517812336e-19 4.65203200918338e-19 3.4009884062908196e-19 1.4438992065037738e-19 -1.9332664354161e-19 ] } }