{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.28317 3.996182 3.818319 3.689092 3.587535 3.503863 3.432711 3.370815 3.316041 3.266918 3.222389 3.181667 3.144152 3.109376 3.076966 3.046621 3.018092 2.991175 2.965698 2.941514 2.918497 2.896542 2.875553 2.85545 2.835127 2.814183 2.792581 2.770276 2.747223 2.723369 2.698656 2.67302 2.64639 2.618685 2.589815 2.559677 2.528156 2.495118 2.460409 2.423852 2.385238 2.344322 2.300813 2.254359 2.204533 2.150805 2.092514 2.028811 1.958587 1.880353 1.792046 1.69068 1.571713 1.42772 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2831700000000005e-10 3.996182e-10 3.818319e-10 3.689092e-10 3.587535e-10 3.5038630000000003e-10 3.432711e-10 3.370815e-10 3.316041e-10 3.266918e-10 3.2223890000000003e-10 3.1816670000000003e-10 3.144152e-10 3.109376e-10 3.0769660000000004e-10 3.046621e-10 3.018092e-10 2.9911750000000003e-10 2.9656980000000003e-10 2.9415140000000005e-10 2.918497e-10 2.896542e-10 2.875553e-10 2.8554499999999997e-10 2.835127e-10 2.814183e-10 2.7925810000000004e-10 2.770276e-10 2.747223e-10 2.723369e-10 2.698656e-10 2.67302e-10 2.6463899999999997e-10 2.6186850000000004e-10 2.5898150000000003e-10 2.5596770000000004e-10 2.528156e-10 2.495118e-10 2.460409e-10 2.423852e-10 2.3852380000000004e-10 2.344322e-10 2.3008130000000002e-10 2.254359e-10 2.2045330000000002e-10 2.1508050000000003e-10 2.092514e-10 2.0288110000000002e-10 1.958587e-10 1.880353e-10 1.792046e-10 1.69068e-10 1.5717129999999999e-10 1.42772e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.00483 1.42018 1.7367 1.99544 2.21052 2.3939 2.55215 2.68976 2.8101 2.91636 3.01104 3.09383 3.16567 3.2283 3.28264 3.32914 3.36844 3.40119 3.42789 3.449 3.46488 3.47588 3.48228 3.48436 3.48214 3.47496 3.46201 3.44228 3.41461 3.37766 3.32985 3.26918 3.19303 3.09839 2.98172 2.83868 2.66393 2.45113 2.19289 1.87801 1.49248 1.01678 0.427472 -0.305681 -1.2231 -2.38114 -3.86356 -5.77826 -8.29948 -11.6693 -16.2483 -22.5979 -31.4787 -43.4367 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6099151471422198e-19 2.27537921207412e-19 2.7825001602677995e-19 3.1970473425489597e-19 3.5416434929896797e-19 3.8354506441325995e-19 4.0889950964631e-19 4.30947062306784e-19 4.5022765592034e-19 4.672523848332239e-19 4.82421793203936e-19 4.95686213556822e-19 5.071962504954779e-19 5.1723068275422e-19 5.25936910583376e-19 5.33387031931476e-19 5.39683586103096e-19 5.4493071457944595e-19 5.49208526192226e-19 5.525907210665999e-19 5.55134977561392e-19 5.56897371858792e-19 5.579227649045519e-19 5.58256017644424e-19 5.579003344316759e-19 5.56749971608464e-19 5.546751528674339e-19 5.515140583685519e-19 5.47080835622274e-19 5.411607929596439e-19 5.3350078647249e-19 5.23780380834012e-19 5.11579805766102e-19 4.96416806101926e-19 4.77724211313048e-19 4.54806676740312e-19 4.26808640061162e-19 3.9271432128964197e-19 3.5133971189322595e-19 3.0089037404183397e-19 2.39121658271232e-19 1.62906115791852e-19 6.84885650089248e-20 -4.8975495565775396e-20 -1.9596222410454e-19 -3.8150068702827596e-19 -6.19010555605704e-19 -9.25779315717684e-19 -1.329723293035032e-18 -1.86962797951362e-18 -2.60326466022222e-18 -3.62058273574686e-18 -5.04344376086958e-18 -6.95932657980678e-18 ] } }