{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.14659 7.600738 7.262441 7.016651 6.823489 6.664345 6.529013 6.411286 6.307106 6.213674 6.128979 6.051526 5.980173 5.914029 5.852385 5.794668 5.740406 5.68921 5.640752 5.594753 5.550976 5.509217 5.469296 5.43106 5.40503 5.377634 5.348721 5.318114 5.285602 5.25093 5.213793 5.173812 5.130515 5.083302 5.031394 4.973753 4.908953 4.834961 4.748731 4.645395 4.516446 4.34485 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14659e-10 7.600738e-10 7.262441e-10 7.016651000000001e-10 6.823489000000001e-10 6.664345e-10 6.529013e-10 6.411286e-10 6.307106000000001e-10 6.213674e-10 6.128979000000001e-10 6.051526e-10 5.980173e-10 5.914029e-10 5.852385e-10 5.794668e-10 5.740406e-10 5.68921e-10 5.640752e-10 5.594753e-10 5.550976e-10 5.509217e-10 5.469296e-10 5.431060000000001e-10 5.40503e-10 5.377634e-10 5.348721000000001e-10 5.318114e-10 5.285602e-10 5.25093e-10 5.213793e-10 5.173812e-10 5.130515e-10 5.083302e-10 5.031394e-10 4.973753e-10 4.908953000000001e-10 4.834961e-10 4.748731000000001e-10 4.645395e-10 4.516446e-10 4.34485e-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" [ 0.644108 1.04319 1.33227 1.53973 1.68361 1.78148 1.8595 1.93325 1.99844 2.04943 2.08605 2.11513 2.14208 2.17024 2.19959 2.22744 2.25205 2.27334 2.29155 2.30691 2.31961 2.32966 2.33625 2.33859 2.33735 2.33309 2.32492 2.31235 2.29503 2.27262 2.24498 2.2121 2.17405 2.13114 2.08268 2.0209 1.92873 1.7752 1.50232 0.998305 -0.257621 -2.77219 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0319747788702465e-19 1.6713746290523522e-19 2.1345318465932162e-19 2.4669194083443844e-19 2.697440580545088e-19 2.854245606422784e-19 2.9792474263776e-19 3.0974079521616e-19 3.201853846071552e-19 3.2835488319661446e-19 3.3422205398198403e-19 3.3888118359527047e-19 3.431990495883264e-19 3.4771077895249926e-19 3.5241316733454726e-19 3.5687522922347524e-19 3.6081818588726403e-19 3.642292199129472e-19 3.6714678353942403e-19 3.696077268289728e-19 3.716424911373888e-19 3.732526786412928e-19 3.7430851303440006e-19 3.746834223636672e-19 3.74484752462688e-19 3.738022252222272e-19 3.7249324692303366e-19 3.70479310910688e-19 3.6770434100346243e-19 3.641138631962496e-19 3.596854470163584e-19 3.54417490287168e-19 3.48321208245024e-19 3.414462683651712e-19 3.336821204607744e-19 3.2378387329747204e-19 3.090166113835584e-19 2.84418393724416e-19 2.4069819809602563e-19 1.599460931427744e-19 -4.127543432271168e-20 -4.441538006415553e-19 ] } }