{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.152391 6.121207 6.088297 6.053457 6.016449 5.976984 5.934711 5.889202 5.839918 5.786178 5.727092 5.661481 5.587722 5.503499 5.405345 5.287722 5.140943 4.94562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.152391e-10 6.121207000000001e-10 6.088297e-10 6.053457000000001e-10 6.016449e-10 5.976984e-10 5.934711000000001e-10 5.889202e-10 5.839918e-10 5.786177999999999e-10 5.727092e-10 5.661481000000001e-10 5.587722e-10 5.503499e-10 5.405345e-10 5.287722e-10 5.140943000000001e-10 4.94562e-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" [ 0.685927 1.02816 1.32895 1.60463 1.86231 2.10369 2.3314 2.54545 2.74652 2.935 3.11131 3.27581 3.42804 3.56794 3.69592 3.81179 3.91486 4.00495 4.0818 4.14517 4.1948 4.23041 4.25233 4.25974 4.25601 4.24347 4.21959 4.18105 4.1236 4.04106 3.92495 3.7634 3.53923 3.22695 2.78738 2.15844 1.23535 -0.166931 -2.40504 -6.24027 -13.5498 -30.1961 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0989762029754816e-19 1.647293914441728e-19 2.1292126202121603e-19 2.570900671034304e-19 2.983749542682048e-19 3.370482935410752e-19 3.73531457373312e-19 4.0782604794153607e-19 4.400410132559616e-19 4.702388382048001e-19 4.984868142061249e-19 5.248426196182848e-19 5.492325543167233e-19 5.716470052417152e-19 5.921516616347137e-19 6.107160821399232e-19 6.272297165705089e-19 6.416637257472961e-19 6.539764530781441e-19 6.641294463241537e-19 6.720810488931841e-19 6.777863998398528e-19 6.812983709926464e-19 6.824855838686592e-19 6.818879719891008e-19 6.798788425066177e-19 6.760528447361473e-19 6.698780560395841e-19 6.60673551353088e-19 6.474491855250049e-19 6.28846312780896e-19 6.029631494718721e-19 5.670471561633984e-19 5.17014384649056e-19 4.465875069285504e-19 3.4582021053995523e-19 1.97924888850528e-19 -2.6745294548676482e-20 -3.8532988600888325e-19 -9.998014701479615e-19 -2.170917277651584e-18 -4.837948545933889e-18 ] } }