{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.88358 4.556362 4.353566 4.206223 4.09043 3.995029 3.913902 3.843329 3.780877 3.724868 3.674097 3.627667 3.584893 3.545242 3.508289 3.473689 3.441162 3.410472 3.381423 3.353848 3.327605 3.302572 3.278641 3.25572 3.240116 3.223693 3.206361 3.188014 3.168524 3.147739 3.125477 3.10151 3.075555 3.047253 3.016136 2.981583 2.942738 2.898382 2.846691 2.784745 2.707445 2.60458 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.88358e-10 4.556362e-10 4.353566e-10 4.206223e-10 4.09043e-10 3.995029e-10 3.9139020000000004e-10 3.8433290000000005e-10 3.780877e-10 3.724868e-10 3.6740970000000003e-10 3.627667e-10 3.584893e-10 3.5452420000000003e-10 3.5082890000000003e-10 3.4736889999999997e-10 3.441162e-10 3.410472e-10 3.381423e-10 3.353848e-10 3.3276050000000005e-10 3.3025720000000004e-10 3.278641e-10 3.25572e-10 3.240116e-10 3.2236930000000003e-10 3.206361e-10 3.188014e-10 3.1685240000000004e-10 3.1477390000000004e-10 3.125477e-10 3.10151e-10 3.0755550000000003e-10 3.047253e-10 3.016136e-10 2.981583e-10 2.942738e-10 2.898382e-10 2.846691e-10 2.784745e-10 2.707445e-10 2.60458e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.62649 1.05074 1.39258 1.69052 1.95661 2.19571 2.41105 2.60551 2.78171 2.94189 3.08773 3.22031 3.34009 3.4472 3.54169 3.62372 3.69367 3.75212 3.79973 3.83723 3.86534 3.88472 3.89595 3.89958 3.89784 3.89217 3.88175 3.86557 3.84235 3.81047 3.7673 3.70929 3.63167 3.52753 3.38666 3.19353 2.92374 2.53714 1.96362 1.0697 -0.431529 -3.28348 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0037476311649921e-19 1.683471062539392e-19 2.231159118593664e-19 2.708511620994816e-19 3.134834798023488e-19 3.5179152280567683e-19 3.86292794157984e-19 4.174487207260609e-19 4.456790727845568e-19 4.713427378965312e-19 4.947088817342784e-19 5.159505393728448e-19 5.351414109367872e-19 5.523023247221761e-19 5.674412916121152e-19 5.805839464325377e-19 5.917911718950337e-19 6.011558942436097e-19 6.087838571352384e-19 6.147920194632384e-19 6.192957379443073e-19 6.224007562354176e-19 6.24200000580576e-19 6.247815906939264e-19 6.245028119619072e-19 6.235943778179137e-19 6.2192490977904e-19 6.193325880065856e-19 6.156123338930881e-19 6.105045948259776e-19 6.03587998353984e-19 5.942937717767233e-19 5.818576768460736e-19 5.651726095170624e-19 5.426027474598529e-19 5.116599103823424e-19 4.684347873297793e-19 4.064946391696512e-19 3.146066056135296e-19 1.7138483312697602e-19 -6.913856749972032e-20 -5.260714890864384e-19 ] } }