{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.98276 7.447886 7.116392 6.875544 6.686267 6.530324 6.397713 6.282353 6.180268 6.088716 6.005724 5.929829 5.85991 5.795097 5.734692 5.678136 5.624965 5.574799 5.527315 5.482241 5.439345 5.398425 5.359307 5.32184 5.296333 5.269488 5.241157 5.211165 5.179306 5.145332 5.108941 5.069764 5.027338 4.981074 4.93021 4.873728 4.810231 4.737727 4.65323 4.551972 4.425616 4.25747 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.98276e-10 7.447885999999999e-10 7.116392000000001e-10 6.875544e-10 6.686267e-10 6.530324e-10 6.397713000000001e-10 6.282352999999999e-10 6.180268e-10 6.088716e-10 6.005724e-10 5.929829e-10 5.859910000000001e-10 5.795097e-10 5.734692e-10 5.678136e-10 5.624965000000001e-10 5.574799e-10 5.527315e-10 5.482241000000001e-10 5.439345000000001e-10 5.398424999999999e-10 5.359307e-10 5.32184e-10 5.296333e-10 5.269488000000001e-10 5.241157e-10 5.211165000000001e-10 5.179306000000001e-10 5.145332e-10 5.108940999999999e-10 5.069764e-10 5.027338000000001e-10 4.981073999999999e-10 4.93021e-10 4.873728e-10 4.810231e-10 4.737726999999999e-10 4.65323e-10 4.5519720000000003e-10 4.425616e-10 4.25747e-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" [ 1.81307 2.0519 2.24279 2.39985 2.53198 2.64482 2.74219 2.82677 2.90059 2.96515 3.02165 3.07107 3.11417 3.15161 3.18393 3.21159 3.235 3.25449 3.27037 3.2829 3.29231 3.29881 3.30259 3.30382 3.30323 3.3013 3.29773 3.29215 3.2841 3.27297 3.25796 3.23801 3.21171 3.17706 3.13123 3.0701 2.98734 2.87287 2.70957 2.46594 2.07634 1.3702 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.904858365873856e-19 3.2875062082195197e-19 3.5933457033640317e-19 3.84498356342688e-19 4.0566791603331843e-19 4.2374687702242567e-19 4.393472707791552e-19 4.528984806378816e-19 4.647257484526272e-19 4.75069400716512e-19 4.84121698624032e-19 4.920396554840257e-19 4.989450367196736e-19 5.049435859879488e-19 5.101218208263745e-19 5.145534413595072e-19 5.183041368288e-19 5.214267790627392e-19 5.239710355365696e-19 5.259785628424321e-19 5.274862110426048e-19 5.285276258461248e-19 5.291332486087873e-19 5.293303163331456e-19 5.292357879125185e-19 5.28926567824704e-19 5.283545907710784e-19 5.27460576216672e-19 5.26170824036928e-19 5.243876014579776e-19 5.219827343501569e-19 5.187863919916608e-19 5.145726674789568e-19 5.090211254878848e-19 5.016783500347585e-19 4.918842443518081e-19 4.786246306380673e-19 4.602845148597696e-19 4.341209706421056e-19 3.950871416295552e-19 3.3266634048318725e-19 2.1953024058201603e-19 ] } }