{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.9641 8.363473 7.991228 7.720773 7.508227 7.333114 7.184201 7.05466 6.940026 6.837219 6.744025 6.658799 6.580286 6.507505 6.439675 6.376165 6.316459 6.260126 6.206804 6.15619 6.10802 6.062069 6.018143 5.97607 5.947428 5.917283 5.885469 5.85179 5.816015 5.777864 5.737 5.693007 5.645365 5.593415 5.536298 5.472873 5.401571 5.320153 5.22527 5.111565 4.969676 4.78086 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.9641e-10 8.363473000000001e-10 7.991228000000001e-10 7.720773000000001e-10 7.508227e-10 7.333114000000001e-10 7.184201e-10 7.05466e-10 6.940026e-10 6.837219000000001e-10 6.744025e-10 6.658799e-10 6.580286e-10 6.507505e-10 6.439675e-10 6.376165e-10 6.316459e-10 6.260126e-10 6.206804e-10 6.15619e-10 6.10802e-10 6.062069000000001e-10 6.018143e-10 5.97607e-10 5.947428e-10 5.917283000000001e-10 5.885468999999999e-10 5.85179e-10 5.816015e-10 5.777864e-10 5.737e-10 5.693007e-10 5.645365e-10 5.593415e-10 5.536298e-10 5.472873e-10 5.401571e-10 5.320153e-10 5.22527e-10 5.111564999999999e-10 4.969676e-10 4.78086e-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" [ 0.0606117 0.404412 1.02717 1.64832 2.13408 2.49324 2.76133 2.96719 3.13052 3.2642 3.3764 3.47226 3.55502 3.62677 3.68891 3.74241 3.788 3.82627 3.85767 3.88263 3.9015 3.91462 3.92228 3.92478 3.92357 3.91962 3.91231 3.90087 3.88435 3.86151 3.83076 3.79002 3.73653 3.66661 3.57523 3.45548 3.29779 3.08892 2.81149 2.44355 1.92275 0.967969 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.711064868694336e-21 6.479394515709696e-20 1.645707759587136e-19 2.640899767597056e-19 3.419173082916864e-19 3.9946108380433926e-19 4.424138368313665e-19 4.753962447471552e-19 5.015645954946816e-19 5.229824925615361e-19 5.40958914246912e-19 5.563173793339008e-19 5.695769930476416e-19 5.810726103018816e-19 5.910285358235329e-19 5.996001807448128e-19 6.0690450395904005e-19 6.130360338868416e-19 6.180668684761536e-19 6.220659013216704e-19 6.250892086051201e-19 6.271912643316097e-19 6.284185316231425e-19 6.288190757783425e-19 6.286252124072256e-19 6.279923526420097e-19 6.268211615322049e-19 6.249882714780096e-19 6.22341475700448e-19 6.186821042985408e-19 6.137554111895808e-19 6.072281436364416e-19 5.986581008917825e-19 5.874556819591488e-19 5.728149919982784e-19 5.536289269641984e-19 5.283642038308032e-19 4.948995407521536e-19 4.504503547612992e-19 3.9149986817558406e-19 3.0805850976432e-19 1.5508573014591554e-19 ] } }