{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.89593 8.29987 7.930456 7.662056 7.451127 7.277345 7.129565 7.001009 6.887246 6.785221 6.692735 6.608158 6.530242 6.458014 6.3907 6.327673 6.268421 6.212516 6.1596 6.10937 6.061566 6.015966 5.972373 5.93062 5.902195 5.87228 5.840708 5.807286 5.771782 5.733922 5.693369 5.64971 5.60243 5.550875 5.494193 5.43125 5.36049 5.279692 5.18553 5.07269 4.93188 4.7445 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.895930000000001e-10 8.29987e-10 7.930456000000001e-10 7.662056e-10 7.451127e-10 7.277345e-10 7.129565000000001e-10 7.001009e-10 6.887246e-10 6.785221e-10 6.692735e-10 6.608158000000001e-10 6.530242000000001e-10 6.458014e-10 6.3907e-10 6.327673e-10 6.268421e-10 6.212516e-10 6.1596e-10 6.10937e-10 6.061566000000001e-10 6.015966e-10 5.972373000000001e-10 5.93062e-10 5.902195e-10 5.87228e-10 5.840708000000001e-10 5.807286000000001e-10 5.771782e-10 5.733922e-10 5.693369e-10 5.64971e-10 5.60243e-10 5.550875e-10 5.494193e-10 5.43125e-10 5.36049e-10 5.279692e-10 5.185530000000001e-10 5.07269e-10 4.93188e-10 4.744500000000001e-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" [ 0.826397 1.19292 1.4936 1.78457 2.07696 2.36337 2.63446 2.88408 3.10945 3.31009 3.48692 3.6415 3.77564 3.92451 4.04309 4.12851 4.19991 4.25873 4.30614 4.34317 4.3707 4.38954 4.40039 4.40388 4.40222 4.3968 4.38686 4.37144 4.34932 4.31898 4.2784 4.22494 4.15506 4.06388 3.95302 3.79606 3.5844 3.29605 2.89126 2.29778 1.36878 -0.249075 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3240339528992578e-19 1.911268534484736e-19 2.3930110008268804e-19 2.8591963321810563e-19 3.3276567543367683e-19 3.7865361603000966e-19 4.220870220432768e-19 4.620805548516864e-19 4.98188809354656e-19 5.303348810743873e-19 5.586661702599936e-19 5.834326164643201e-19 6.049242136557313e-19 6.287758170095809e-19 6.477744273790272e-19 6.614602200739009e-19 6.728997611464129e-19 6.823237640299584e-19 6.899196833891713e-19 6.958525434159936e-19 7.002633356530561e-19 7.032818364066433e-19 7.050201980402112e-19 7.055793576808704e-19 7.0531339636181765e-19 7.04445016633344e-19 7.028524530722689e-19 7.003818967229952e-19 6.968378820377856e-19 6.919768781702784e-19 6.854752454430721e-19 6.769100092282753e-19 6.657139990021248e-19 6.511053525736705e-19 6.333436225554817e-19 6.081958583154049e-19 5.74284187959552e-19 5.280854250987841e-19 4.632309176654208e-19 3.681449395741824e-19 2.193027315018624e-19 -3.9906214182576e-20 ] } }