{ "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" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 7.42462 6.927144 6.618828 6.39482 6.218777 6.073737 5.950399 5.843105 5.748157 5.663006 5.585817 5.515228 5.450199 5.389917 5.333736 5.281134 5.231681 5.185022 5.140858 5.098936 5.059039 5.02098 4.984598 4.94975 4.926027 4.901059 4.874708 4.846814 4.817182 4.785583 4.751737 4.715299 4.675839 4.63281 4.585503 4.53297 4.473913 4.406478 4.327889 4.233711 4.116189 3.9598 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.424620000000001e-10 6.927144e-10 6.618828e-10 6.394820000000001e-10 6.218777e-10 6.073737000000001e-10 5.950399e-10 5.843105000000001e-10 5.748157000000001e-10 5.663006000000001e-10 5.585817e-10 5.515227999999999e-10 5.450199e-10 5.389916999999999e-10 5.333736e-10 5.281134e-10 5.231681e-10 5.185022e-10 5.140858e-10 5.098936e-10 5.059039000000001e-10 5.02098e-10 4.984598e-10 4.94975e-10 4.926027000000001e-10 4.901059e-10 4.874708e-10 4.846814000000001e-10 4.817182e-10 4.785583e-10 4.751737000000001e-10 4.715299e-10 4.675839e-10 4.6328100000000004e-10 4.5855030000000003e-10 4.53297e-10 4.473913e-10 4.406478e-10 4.327889e-10 4.233711e-10 4.1161890000000003e-10 3.9598e-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" [ 0.351573 0.565544 0.747382 0.906256 1.04705 1.17283 1.28573 1.38731 1.47879 1.56112 1.63509 1.70135 1.76044 1.81285 1.85898 1.89919 1.93381 1.96311 1.98735 2.00676 2.02155 2.0319 2.038 2.04 2.03903 2.03581 2.02981 2.02036 2.00657 1.9873 1.96102 1.92567 1.87842 1.81526 1.7304 1.61515 1.45601 1.23088 0.9012 0.393852 -0.44737 -2.02179 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.632820411045185e-20 9.061013748337153e-20 1.1974379672067456e-19 1.4519821756597249e-19 1.6775590308086402e-19 1.8790808061728641e-19 2.0599665466611841e-19 2.2227156478020484e-19 2.3692827650728324e-19 2.5011899662632963e-19 2.619702970903872e-19 2.72586319379808e-19 2.820535810321152e-19 2.9045058870172803e-19 2.978414294534784e-19 3.042837816457152e-19 3.0983051710692484e-19 3.145248946058688e-19 3.18408570734688e-19 3.215183955556608e-19 3.23888014777824e-19 3.25546267580352e-19 3.2652359531904e-19 3.2684403064320004e-19 3.266886195109824e-19 3.2617271863908485e-19 3.252114126666048e-19 3.236973557599488e-19 3.214879541998656e-19 3.18400559851584e-19 3.141900396921216e-19 3.0852634533759363e-19 3.0095606080431363e-19 2.9083671326734084e-19 2.7724064246323203e-19 2.5877555690851203e-19 2.3327851816510083e-19 1.972087159010304e-19 1.44388157066496e-19 6.310204664553216e-20 -7.16765754847296e-20 -3.2392646701672323e-19 ] } }