{ "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.73368 9.081487 8.677285 8.38361 8.152817 7.962669 7.800973 7.66031 7.535834 7.4242 7.323006 7.230463 7.14521 7.06618 6.992526 6.923565 6.858732 6.797562 6.739664 6.684703 6.632398 6.582503 6.534805 6.48912 6.458019 6.425286 6.390741 6.354171 6.315324 6.273898 6.229526 6.181756 6.130024 6.073614 6.011593 5.942723 5.865299 5.776892 5.673863 5.550396 5.396326 5.1913 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.73368e-10 9.081486999999999e-10 8.677285e-10 8.383609999999999e-10 8.152817000000001e-10 7.962669e-10 7.800973e-10 7.66031e-10 7.535834e-10 7.4242e-10 7.323006e-10 7.230463000000001e-10 7.14521e-10 7.066180000000001e-10 6.992526e-10 6.923565e-10 6.858732e-10 6.797562000000001e-10 6.739664000000001e-10 6.684703e-10 6.632398e-10 6.582503000000001e-10 6.534805000000001e-10 6.48912e-10 6.458019000000001e-10 6.425286e-10 6.390741e-10 6.354171000000001e-10 6.315324e-10 6.273898e-10 6.229526e-10 6.181756000000001e-10 6.130024e-10 6.073614e-10 6.011593000000001e-10 5.942723000000001e-10 5.865299e-10 5.776892000000001e-10 5.673863e-10 5.550396000000001e-10 5.396326e-10 5.1913e-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" [ 0.879481 1.25307 1.53913 1.7722 1.96813 2.13591 2.28124 2.40808 2.51929 2.61701 2.70294 2.77842 2.84454 2.90222 2.95221 2.99516 3.03164 3.06212 3.08704 3.10677 3.12164 3.13194 3.13795 3.1399 3.13896 3.13587 3.13014 3.12117 3.10819 3.0902 3.06588 3.03346 2.99056 2.93385 2.85855 2.75764 2.62036 2.42938 2.15511 1.74265 1.07784 -0.121471 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.409083908246954e-19 2.0076394747663798e-19 2.46595812268842e-19 2.8393774307747997e-19 3.15329189867442e-19 3.42210509432694e-19 3.6549494245461595e-19 3.8581695088027196e-19 4.0363475722698596e-19 4.19291227294434e-19 4.3305873111039595e-19 4.451519603438279e-19 4.557455522478359e-19 4.6498690707274795e-19 4.72996188066114e-19 4.798775367091439e-19 4.85722277069976e-19 4.90605711450408e-19 4.94598335622336e-19 4.977594301212179e-19 5.00141866775976e-19 5.01792108708996e-19 5.027550168660299e-19 5.030674413096599e-19 5.02916836706064e-19 5.02421764126158e-19 5.01503716914876e-19 5.00066564474178e-19 4.979869392032459e-19 4.951046234386799e-19 4.91208129864792e-19 4.86013873217364e-19 4.79140535457504e-19 4.7005459176609e-19 4.5799020171207e-19 4.4182263729837595e-19 4.1982795646682393e-19 3.89229587110692e-19 3.45286688569974e-19 2.7920331112401e-19 1.7268900631905598e-19 -1.94617997908614e-20 ] } }