{ "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" [ "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" [ 7.68 7.165412 6.84649 6.614777 6.432678 6.28265 6.155069 6.044084 5.945871 5.857791 5.777947 5.704929 5.637663 5.575308 5.517194 5.462782 5.411629 5.363365 5.317682 5.274318 5.233048 5.19368 5.156046 5.12 5.095461 5.069634 5.042377 5.013523 4.982873 4.950187 4.915176 4.877485 4.836668 4.792159 4.743224 4.688884 4.627796 4.558041 4.47675 4.379332 4.257769 4.096 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.68e-10 7.165412000000001e-10 6.84649e-10 6.614777000000001e-10 6.432678e-10 6.28265e-10 6.155069e-10 6.044084e-10 5.945871e-10 5.857791e-10 5.777947000000001e-10 5.704929000000001e-10 5.637663e-10 5.575308e-10 5.517194e-10 5.462782e-10 5.411629e-10 5.363365000000001e-10 5.317682e-10 5.274318000000001e-10 5.233048e-10 5.19368e-10 5.156046e-10 5.12e-10 5.095461000000001e-10 5.069634e-10 5.042377e-10 5.013523e-10 4.982873e-10 4.950187e-10 4.915176e-10 4.877485e-10 4.836668000000001e-10 4.792159e-10 4.743224e-10 4.688884e-10 4.627796e-10 4.5580410000000003e-10 4.47675e-10 4.379332e-10 4.257769e-10 4.096e-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" [ 0.370618 0.612924 0.817786 0.998419 1.15962 1.30447 1.43513 1.55322 1.65999 1.75644 1.84341 1.92158 1.99155 2.05383 2.10885 2.15385 2.1936 2.22839 2.25721 2.28032 2.29796 2.31032 2.31761 2.32 2.31883 2.31497 2.30777 2.29642 2.27984 2.25664 2.22497 2.18233 2.12524 2.04883 1.94601 1.80614 1.61263 1.33829 0.935561 0.313959 -0.720413 -2.66548 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.93795499739812e-20 9.82012511217816e-20 1.310237620812324e-19 1.5996435927416458e-19 1.85791606831908e-19 2.0899913537539799e-19 2.2993317527524196e-19 2.48853279146148e-19 2.65959719067366e-19 2.81412712702296e-19 2.95346842888194e-19 3.07871057636172e-19 3.1908148754427e-19 3.29059843620822e-19 3.3787501946109e-19 3.4508481431408994e-19 3.5145346643424e-19 3.57027438943926e-19 3.61644912003114e-19 3.65347542204288e-19 3.6817378178666393e-19 3.7015407210628795e-19 3.71322058872474e-19 3.7170497908799996e-19 3.71517524421822e-19 3.70899084241098e-19 3.69745517064618e-19 3.6792704658502794e-19 3.65270637725856e-19 3.6155358793497596e-19 3.56479494535098e-19 3.4964781336772197e-19 3.4050098696421595e-19 3.28258755303822e-19 3.1178517515303396e-19 2.89375530573276e-19 2.58371810528742e-19 2.14417696751586e-19 1.4989339738816738e-19 5.0301777383400596e-20 -1.154228875429842e-19 -4.27056977439432e-19 ] } }