{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.31723 4.027959 3.84868 3.718425 3.61606 3.531723 3.460004 3.397615 3.342406 3.292892 3.248009 3.206963 3.16915 3.134097 3.101429 3.070842 3.042086 3.014955 2.989275 2.964898 2.941699 2.919569 2.898413 2.87815 2.864355 2.849837 2.834515 2.818295 2.801065 2.782691 2.763011 2.741823 2.718878 2.693858 2.66635 2.635803 2.601463 2.562251 2.516554 2.461792 2.393456 2.30252 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3172300000000006e-10 4.0279590000000003e-10 3.84868e-10 3.718425e-10 3.61606e-10 3.531723e-10 3.460004e-10 3.3976150000000004e-10 3.342406e-10 3.292892e-10 3.2480090000000003e-10 3.206963e-10 3.1691500000000004e-10 3.134097e-10 3.101429e-10 3.070842e-10 3.042086e-10 3.014955e-10 2.989275e-10 2.964898e-10 2.941699e-10 2.9195690000000004e-10 2.898413e-10 2.8781500000000006e-10 2.864355e-10 2.849837e-10 2.834515e-10 2.818295e-10 2.801065e-10 2.782691e-10 2.763011e-10 2.7418230000000004e-10 2.718878e-10 2.6938580000000004e-10 2.6663500000000003e-10 2.6358030000000003e-10 2.601463e-10 2.562251e-10 2.516554e-10 2.4617920000000003e-10 2.393456e-10 2.30252e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.78215 1.99397 2.20919 2.4375 2.61784 2.75635 2.87994 3.01314 3.14911 3.27508 3.39197 3.5027 3.60704 3.70098 3.78136 3.84729 3.89974 3.94075 3.97294 3.99856 4.01881 4.03401 4.04387 4.04734 4.04579 4.04122 4.03378 4.02332 4.00868 3.98625 3.94859 3.88498 3.78299 3.63023 3.41378 3.11949 2.73346 2.2477 1.65597 0.878572 -0.307879 -2.88061 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.85531906475872e-19 3.194692116576576e-19 3.5395125689051523e-19 3.9053055132000004e-19 4.1942420449950723e-19 4.41615952874208e-19 4.614172537306752e-19 4.827582463197312e-19 5.045430418327488e-19 5.247256607249664e-19 5.434535032454976e-19 5.61194404967616e-19 5.779115158290432e-19 5.929623630048384e-19 6.058406586828289e-19 6.164038091437633e-19 6.248072255198592e-19 6.3137775184176e-19 6.365351583841152e-19 6.406399348866048e-19 6.438843425437249e-19 6.463196510073408e-19 6.478993971554497e-19 6.484553524428672e-19 6.482070150666433e-19 6.474748203509377e-19 6.462828009450624e-19 6.446069241997057e-19 6.422613376268544e-19 6.386676554664e-19 6.326338583124672e-19 6.224424128275584e-19 6.061018134720192e-19 5.816269634126785e-19 5.469478504554625e-19 4.997973946819392e-19 4.3794857058919685e-19 3.6012123905721604e-19 2.653156418746176e-19 1.4076275180894977e-19 -4.932765358352832e-20 -4.615245995642688e-19 ] } }