{ "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" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" ] } "a" { "source-value" [ 9.03906 8.43341 8.058052 7.785334 7.571011 7.394433 7.244275 7.113651 6.998058 6.894391 6.800417 6.714479 6.635309 6.561919 6.493522 6.429482 6.369276 6.312471 6.258704 6.207666 6.159093 6.112759 6.068465 6.02604 5.98315 5.938952 5.893363 5.846293 5.797643 5.747302 5.695148 5.641048 5.584848 5.526381 5.465455 5.401854 5.335333 5.265611 5.192362 5.115213 5.033725 4.947378 4.855558 4.757524 4.652372 4.538988 4.415973 4.281536 4.133338 3.968238 3.781877 3.567959 3.316896 3.01302 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.03906e-10 8.43341e-10 8.058052000000001e-10 7.785334e-10 7.571011e-10 7.394433000000001e-10 7.244275e-10 7.113651e-10 6.998058000000001e-10 6.894391e-10 6.800417000000001e-10 6.714479e-10 6.635309000000001e-10 6.561919e-10 6.493522e-10 6.429482000000001e-10 6.369276000000001e-10 6.312471000000001e-10 6.258704000000001e-10 6.207666e-10 6.159093000000001e-10 6.112759e-10 6.068465e-10 6.02604e-10 5.98315e-10 5.938952e-10 5.893363e-10 5.846293000000001e-10 5.797643e-10 5.747302000000001e-10 5.695148e-10 5.641048e-10 5.584848e-10 5.526381e-10 5.465455000000001e-10 5.401854000000001e-10 5.335333e-10 5.265611e-10 5.192362e-10 5.115213e-10 5.033725e-10 4.947378e-10 4.855558e-10 4.757524e-10 4.6523719999999997e-10 4.538988e-10 4.415973e-10 4.281536e-10 4.1333380000000003e-10 3.968238e-10 3.781877e-10 3.5679590000000004e-10 3.316896e-10 3.01302e-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" [ 1.50599 1.9668 2.31226 2.61373 2.8894 3.14527 3.37697 3.58086 3.75727 3.90807 4.03661 4.14678 4.24157 4.3233 4.39376 4.45426 4.50591 4.54961 4.58611 4.61606 4.63962 4.6566 4.66684 4.67026 4.66647 4.65402 4.63108 4.59572 4.54591 4.47926 4.39299 4.28383 4.1479 3.98061 3.77649 3.52891 3.22984 2.87095 2.44307 1.93424 1.32927 0.60893 -0.252451 -1.28756 -2.53836 -4.06541 -6.00843 -8.62994 -12.4021 -18.2534 -28.1404 -46.9374 -87.3269 -183.689 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.41286198903766e-19 3.1511610037512e-19 3.70464894373284e-19 4.1876571335848196e-19 4.6293291662796e-19 5.039278101621179e-19 5.410502427718979e-19 5.737170221625239e-19 6.019810201629179e-19 6.261418438036379e-19 6.467362222570739e-19 6.643874022338519e-19 6.79574434547538e-19 6.926690241772199e-19 7.03957960740384e-19 7.136511293760839e-19 7.219263716906939e-19 7.28927883581274e-19 7.347758282953739e-19 7.39574347314204e-19 7.433490754639079e-19 7.460695713884399e-19 7.477102002616559e-19 7.48258144670484e-19 7.47650919726198e-19 7.45656209816868e-19 7.41980816618472e-19 7.36315520040648e-19 7.28335078226694e-19 7.17656570961084e-19 7.03834593139566e-19 6.86345233002822e-19 6.6456684601686e-19 6.37764033106674e-19 6.0506040365346595e-19 5.65393714548894e-19 5.17477417955856e-19 4.5997690073823e-19 3.91422966922638e-19 3.0989941325481596e-19 2.1297253342771798e-19 9.756134177416199e-20 -4.0447109342993395e-20 -2.06289854687304e-19 -4.06690108068024e-19 -6.513504909629939e-19 -9.626566153024619e-19 -1.3826688220821958e-18 -1.98703548325314e-18 -2.9245170971055595e-18 -4.5085891351413594e-18 -7.52020055407116e-18 -1.3991311869965457e-17 -2.9430222372282595e-17 ] } }