{ "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" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.20915 3.927121 3.752331 3.625337 3.525535 3.443309 3.373386 3.312559 3.258732 3.210458 3.166698 3.12668 3.089814 3.055639 3.023789 2.993968 2.965932 2.93948 2.914443 2.890676 2.868058 2.846482 2.825856 2.8061 2.792651 2.778496 2.763558 2.747744 2.730945 2.713031 2.693843 2.673186 2.650815 2.626421 2.599602 2.56982 2.536339 2.498109 2.453556 2.400165 2.33354 2.24488 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2091500000000004e-10 3.9271210000000003e-10 3.752331e-10 3.6253370000000003e-10 3.525535e-10 3.443309e-10 3.373386e-10 3.312559e-10 3.258732e-10 3.210458e-10 3.166698e-10 3.12668e-10 3.0898140000000003e-10 3.0556390000000003e-10 3.023789e-10 2.9939680000000003e-10 2.965932e-10 2.9394800000000004e-10 2.914443e-10 2.8906760000000003e-10 2.868058e-10 2.846482e-10 2.825856e-10 2.8061e-10 2.7926510000000005e-10 2.778496e-10 2.763558e-10 2.7477440000000003e-10 2.730945e-10 2.713031e-10 2.6938430000000003e-10 2.673186e-10 2.6508150000000004e-10 2.6264210000000003e-10 2.599602e-10 2.56982e-10 2.536339e-10 2.498109e-10 2.453556e-10 2.400165e-10 2.33354e-10 2.2448800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.13061 1.68282 2.10892 2.45893 2.75158 3.00066 3.21654 3.40654 3.57501 3.72387 3.85342 3.96384 4.05599 4.13149 4.19232 4.24053 4.27804 4.30661 4.32785 4.34325 4.35416 4.36152 4.36571 4.36706 4.36641 4.3643 4.36033 4.35401 4.34463 4.33113 4.31202 4.28515 4.24739 4.19425 4.11915 4.01226 3.8585 3.63361 3.29661 2.77132 1.89658 0.255097 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.811436909242688e-19 2.696174861014656e-19 3.378862319137536e-19 3.9396401581837444e-19 4.4085171462608645e-19 4.807587298969728e-19 5.153465187868032e-19 5.457878745820033e-19 5.727797441126208e-19 5.966297452898496e-19 6.173859434123136e-19 6.350771776591872e-19 6.498412352198593e-19 6.619376687068993e-19 6.716837090912256e-19 6.794078025801024e-19 6.8541756708472325e-19 6.899949856903488e-19 6.93398008832928e-19 6.9586536082896e-19 6.976133355222529e-19 6.9879253751516155e-19 6.994638495192768e-19 6.996801433630849e-19 6.995760018827329e-19 6.992379426157441e-19 6.986018784972865e-19 6.975893028729408e-19 6.960864612026305e-19 6.939235227645504e-19 6.9086176324220175e-19 6.86556714662112e-19 6.805068957419713e-19 6.7199292917904e-19 6.599605827568321e-19 6.428349168571009e-19 6.1819984913568e-19 5.821684991105088e-19 5.281751469895488e-19 4.440144112755456e-19 3.038656135476864e-19 4.087104494362176e-20 ] } }