{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.44264 5.077964 4.851952 4.687742 4.558693 4.452372 4.361958 4.283306 4.213705 4.151284 4.094701 4.042955 3.995285 3.951095 3.909912 3.871352 3.8351 3.800897 3.768523 3.737791 3.708545 3.680645 3.653975 3.62843 3.611039 3.592736 3.57342 3.552972 3.53125 3.508086 3.483275 3.456564 3.427638 3.396095 3.361416 3.322906 3.279614 3.23018 3.17257 3.103532 3.017382 2.90274 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44264e-10 5.077964e-10 4.851952e-10 4.687742e-10 4.558693e-10 4.4523720000000004e-10 4.3619579999999996e-10 4.283306e-10 4.213705e-10 4.1512840000000005e-10 4.0947009999999996e-10 4.042955e-10 3.995285e-10 3.9510950000000004e-10 3.909912e-10 3.871352e-10 3.8351000000000005e-10 3.8008970000000004e-10 3.768523e-10 3.737791e-10 3.708545e-10 3.680645e-10 3.6539750000000003e-10 3.62843e-10 3.6110390000000003e-10 3.592736e-10 3.57342e-10 3.552972e-10 3.53125e-10 3.508086e-10 3.483275e-10 3.456564e-10 3.427638e-10 3.3960949999999997e-10 3.3614160000000003e-10 3.3229060000000003e-10 3.279614e-10 3.2301799999999997e-10 3.17257e-10 3.103532e-10 3.0173820000000003e-10 2.90274e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0163715 0.151878 0.539489 1.12823 1.7304 2.23993 2.64618 2.96831 3.2256 3.43236 3.59892 3.7331 3.84101 3.92749 3.9964 4.05083 4.09329 4.12583 4.15023 4.16801 4.18055 4.18907 4.19407 4.19571 4.19491 4.19228 4.18738 4.17965 4.1684 4.15267 4.13121 4.10225 4.0633 4.0107 3.93887 3.83888 3.69582 3.48354 3.15377 2.61099 1.64517 -0.289662 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6230034547427204e-21 2.4333538081386244e-20 8.643566629787712e-20 1.8076237288851841e-19 2.7724064246323203e-19 3.5887634782285444e-19 4.2396477304285443e-19 4.755756885286848e-19 5.16798090805248e-19 5.499246946169088e-19 5.766105484129537e-19 5.98108554310848e-19 6.153976422259008e-19 6.292532656425792e-19 6.402938647365121e-19 6.490145120835265e-19 6.558173540154432e-19 6.610308367395264e-19 6.649401476942784e-19 6.677888177260608e-19 6.69797947208544e-19 6.711630016894656e-19 6.719640899998656e-19 6.722268469656768e-19 6.720986728360129e-19 6.7167730038474245e-19 6.708922338405504e-19 6.69653751312672e-19 6.678513026142721e-19 6.653310787897536e-19 6.618928077615168e-19 6.5725290426768e-19 6.51012426329664e-19 6.42584977304256e-19 6.310765426370496e-19 6.150563786056704e-19 5.921356398685056e-19 5.581246345621633e-19 5.052896561380417e-19 4.1832671351425923e-19 2.635852911241536e-19 -4.6408968433416956e-20 ] } }