{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 7.79703 7.2746 6.950819 6.715575 6.530701 6.378386 6.248861 6.136186 6.036476 5.947053 5.865993 5.791863 5.723571 5.660266 5.601267 5.546026 5.494093 5.445094 5.398714 5.354689 5.312791 5.272823 5.234616 5.19802 5.173107 5.146887 5.119215 5.089921 5.058803 5.02562 4.990076 4.95181 4.910371 4.865185 4.815504 4.760336 4.698317 4.6275 4.54497 4.446069 4.322653 4.15842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.79703e-10 7.274600000000001e-10 6.950819e-10 6.715575e-10 6.530701e-10 6.378386e-10 6.248861e-10 6.136186000000001e-10 6.036476e-10 5.947053000000001e-10 5.865993e-10 5.791863e-10 5.723571e-10 5.660266e-10 5.601267e-10 5.546026e-10 5.494093000000001e-10 5.445094e-10 5.398714e-10 5.354689e-10 5.312791e-10 5.272823e-10 5.234616e-10 5.19802e-10 5.173107e-10 5.146887000000001e-10 5.119215e-10 5.089921000000001e-10 5.058803e-10 5.02562e-10 4.990076000000001e-10 4.95181e-10 4.910371e-10 4.865185e-10 4.815504e-10 4.760336e-10 4.698317e-10 4.6275000000000003e-10 4.5449700000000006e-10 4.4460689999999997e-10 4.322653e-10 4.1584199999999995e-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" [ 0.64831 0.886245 1.05911 1.19451 1.3047 1.39638 1.48433 1.55363 1.61361 1.66572 1.71106 1.75051 1.78474 1.81431 1.8397 1.86128 1.87937 1.89427 1.9072 1.91831 1.92606 1.93133 1.9344 1.9354 1.93491 1.93334 1.93042 1.92585 1.91924 1.91008 1.89769 1.88117 1.85931 1.83039 1.79197 1.74042 1.67018 1.57229 1.43134 1.21871 0.87455 0.25028 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.03870713358854e-19 1.4199210309993298e-19 1.6968812948357398e-19 1.9138160110793399e-19 2.0903598543797997e-19 2.23724740818492e-19 2.37815884314522e-19 2.48918968388142e-19 2.58528823838874e-19 2.66877766278648e-19 2.7414203513720397e-19 2.80462621958334e-19 2.8594687257651597e-19 2.90684508883254e-19 2.9475243535698e-19 2.98209932533152e-19 3.01108270064058e-19 3.0349551324871798e-19 3.0556712763648e-19 3.0734714587685397e-19 3.08588832768204e-19 3.0943317985432196e-19 3.0992504808095995e-19 3.1008526574435998e-19 3.10006759089294e-19 3.09755217357756e-19 3.0928738178062797e-19 3.0855518705888997e-19 3.07496148303816e-19 3.0602855450707196e-19 3.04043457657546e-19 3.01396661858178e-19 2.9789430373625397e-19 2.9326080891072595e-19 2.87105246282898e-19 2.78846025734628e-19 2.67592337057412e-19 2.5190862998718597e-19 2.29325950330956e-19 1.9525886856221399e-19 1.4011835752647e-19 4.0099276795751995e-20 ] } }