{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 7.811 7.287633 6.963272 6.727606 6.542401 6.389813 6.260055 6.147178 6.047289 5.957706 5.8765 5.802238 5.733824 5.670404 5.6113 5.55596 5.503934 5.454847 5.408384 5.36428 5.322307 5.282267 5.243991 5.20733 5.170267 5.132074 5.092679 5.052004 5.009963 4.966461 4.921393 4.874643 4.826079 4.775555 4.722906 4.667946 4.610463 4.550213 4.486916 4.420249 4.349831 4.275216 4.195871 4.111155 4.020289 3.92231 3.816007 3.699835 3.571772 3.429102 3.26806 3.083205 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.811e-10 7.287633e-10 6.963272000000001e-10 6.727606e-10 6.542401e-10 6.389813e-10 6.260055000000001e-10 6.147178e-10 6.047289e-10 5.957706e-10 5.8765e-10 5.802238000000001e-10 5.733824000000001e-10 5.670404000000001e-10 5.6113e-10 5.55596e-10 5.503934e-10 5.454847e-10 5.408384e-10 5.364280000000001e-10 5.322307e-10 5.282267e-10 5.243991000000001e-10 5.20733e-10 5.170267e-10 5.132074e-10 5.092679000000001e-10 5.052004e-10 5.009963e-10 4.966461e-10 4.921393e-10 4.874643e-10 4.826079e-10 4.775555e-10 4.722906e-10 4.667946e-10 4.6104630000000004e-10 4.5502130000000005e-10 4.486916e-10 4.420249e-10 4.3498310000000004e-10 4.2752160000000003e-10 4.1958710000000005e-10 4.1111550000000004e-10 4.020289e-10 3.92231e-10 3.816007e-10 3.6998350000000003e-10 3.5717720000000004e-10 3.429102e-10 3.2680600000000005e-10 3.0832050000000003e-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" [ 0.627726 0.922233 1.19165 1.42324 1.61576 1.78211 1.93084 2.06682 2.19202 2.30626 2.40885 2.49971 2.57945 2.649 2.70927 2.76106 2.80504 2.84178 2.87177 2.89545 2.91323 2.92549 2.93261 2.93491 2.93246 2.92462 2.91053 2.88916 2.8593 2.81949 2.76803 2.70291 2.62187 2.52226 2.40045 2.25183 2.07056 1.84914 1.57785 1.24319 0.828209 0.311342 -0.33584 -1.15272 -2.19771 -3.56 -5.37351 -7.84571 -11.3076 -16.3122 -23.8716 -35.993 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.005727929754284e-19 1.4775801637037218e-19 1.9092337859061e-19 2.28028187257416e-19 2.58873291815184e-19 2.85525500121774e-19 3.0935467319925597e-19 3.31141071068388e-19 3.5120032252606797e-19 3.69503588392884e-19 3.8594031848109e-19 4.0049769537761395e-19 4.1327345185712997e-19 4.244165903466e-19 4.34072908919718e-19 4.42370581707204e-19 4.494169545435359e-19 4.55303351496852e-19 4.60108279222218e-19 4.639022334915299e-19 4.66750903546782e-19 4.687151721000659e-19 4.69855921863474e-19 4.702244224892939e-19 4.698318892139639e-19 4.68575782732908e-19 4.6631831585560195e-19 4.62894464388744e-19 4.5811036495962e-19 4.51732099779666e-19 4.434872988211019e-19 4.33053924580494e-19 4.2006988513855794e-19 4.04110603687284e-19 3.8459449010853e-19 3.60782940974022e-19 3.31740285129504e-19 2.9626489009947596e-19 2.5279944019568996e-19 1.9918099696224599e-19 1.3269371078685058e-19 4.98824877582828e-20 -5.3807500076256e-20 -1.8468610495444799e-19 -3.5211196103081397e-19 -5.70374881704e-19 -8.609312164565339e-19 -1.257021323914014e-18 -1.81167725066184e-18 -2.61350256891348e-18 -3.82465197361944e-18 -5.7667143587562e-18 ] } }