{ "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" [ 6.26535 5.845548 5.585372 5.39634 5.247784 5.125391 5.02131 4.930768 4.850646 4.77879 4.713653 4.654086 4.59921 4.54834 4.500931 4.456542 4.414811 4.375437 4.338169 4.302793 4.269125 4.237008 4.206307 4.1769 4.156881 4.135811 4.113575 4.090036 4.065031 4.038366 4.009805 3.979056 3.945757 3.909447 3.869526 3.825195 3.775359 3.718454 3.652136 3.572663 3.473491 3.34152 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.26535e-10 5.845548e-10 5.585372e-10 5.396340000000001e-10 5.247784e-10 5.125391e-10 5.02131e-10 4.930767999999999e-10 4.850646e-10 4.77879e-10 4.713653e-10 4.6540860000000007e-10 4.5992100000000006e-10 4.5483399999999995e-10 4.5009309999999995e-10 4.456542e-10 4.4148110000000005e-10 4.375437e-10 4.338169e-10 4.302793e-10 4.269125e-10 4.2370080000000004e-10 4.206307e-10 4.1769e-10 4.1568810000000005e-10 4.135811000000001e-10 4.113575e-10 4.090036e-10 4.0650310000000005e-10 4.0383660000000003e-10 4.009805e-10 3.979056e-10 3.945757e-10 3.9094470000000005e-10 3.869526e-10 3.825195e-10 3.775359e-10 3.718454e-10 3.6521360000000003e-10 3.572663e-10 3.473491e-10 3.34152e-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" [ 1.9967 2.87341 3.54881 4.10105 4.56638 4.96552 5.31172 5.61414 5.87947 6.11276 6.31797 6.49824 6.65619 6.80864 6.93075 7.03422 7.12213 7.19563 7.25573 7.30333 7.33922 7.3641 7.37861 7.38333 7.38106 7.37358 7.35973 7.33805 7.30667 7.26315 7.2043 7.12586 7.02203 6.88471 6.70235 6.4579 6.12522 5.66226 4.99712 3.99641 2.38266 -0.530153 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1990660851077996e-19 4.60371036190194e-19 5.68582046050554e-19 6.570606484865699e-19 7.316147337964919e-19 7.955640119659679e-19 8.51031367035048e-19 8.99484392800476e-19 9.41994945430398e-19 9.793721241249839e-19 1.012250390831298e-18 1.041132829012416e-18 1.066439208946446e-18 1.0908643917317758e-18 1.11042857060955e-18 1.1270062922415479e-18 1.141091027031042e-18 1.152867025290942e-18 1.1624961068612818e-18 1.1701224676391219e-18 1.1758726795785479e-18 1.1798588950439399e-18 1.182183653339874e-18 1.182939880711122e-18 1.1825761866152038e-18 1.1813777584929718e-18 1.179158743854882e-18 1.17568522491237e-18 1.170657594634878e-18 1.16368492192371e-18 1.1542561124326199e-18 1.141688638915524e-18 1.125053238924702e-18 1.103052149386614e-18 1.07383485628899e-18 1.03466964847086e-18 9.813684362109479e-19 9.07194066763284e-19 8.0062689012940795e-19 6.4029547218839395e-19 3.8174421787664397e-19 -8.493987490450019e-20 ] } }