{ "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" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.29933 4.011259 3.832724 3.703009 3.601069 3.517081 3.44566 3.38353 3.32855 3.279241 3.234544 3.193669 3.156012 3.121105 3.088573 3.058113 3.029476 3.002458 2.976884 2.952608 2.929505 2.907467 2.886399 2.86622 2.84582 2.824798 2.803114 2.780725 2.757585 2.733641 2.708835 2.683103 2.656372 2.628563 2.599584 2.569333 2.537693 2.50453 2.46969 2.432995 2.394236 2.353166 2.309493 2.262864 2.21285 2.15892 2.100409 2.036466 1.965977 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2993300000000006e-10 4.0112590000000003e-10 3.832724e-10 3.7030090000000003e-10 3.601069e-10 3.5170810000000003e-10 3.4456600000000005e-10 3.38353e-10 3.32855e-10 3.279241e-10 3.234544e-10 3.193669e-10 3.156012e-10 3.121105e-10 3.0885729999999997e-10 3.058113e-10 3.029476e-10 3.002458e-10 2.9768840000000004e-10 2.952608e-10 2.929505e-10 2.9074670000000004e-10 2.886399e-10 2.8662200000000006e-10 2.84582e-10 2.824798e-10 2.803114e-10 2.780725e-10 2.757585e-10 2.733641e-10 2.7088350000000003e-10 2.683103e-10 2.656372e-10 2.628563e-10 2.599584e-10 2.569333e-10 2.5376930000000003e-10 2.50453e-10 2.46969e-10 2.432995e-10 2.394236e-10 2.3531659999999997e-10 2.309493e-10 2.2628640000000002e-10 2.21285e-10 2.1589200000000003e-10 2.100409e-10 2.036466e-10 1.9659770000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.0747 1.60492 2.01827 2.35563 2.62022 2.83381 3.0153 3.17348 3.31359 3.44398 3.57062 3.69269 3.80812 3.91558 4.0145 4.10401 4.18045 4.24138 4.28782 4.32207 4.34627 4.36215 4.37097 4.37372 4.37113 4.36402 4.35359 4.3406 4.32476 4.30488 4.27938 4.24678 4.20493 4.14972 4.0739 3.96925 3.828 3.64201 3.40146 3.09371 2.70206 2.20219 1.55096 0.700832 -0.399434 -1.82155 -3.65393 -6.01112 -9.16318 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7218592285597998e-19 2.5713653234392796e-19 3.2336250351031794e-19 3.77413534434942e-19 4.1980552599394802e-19 4.54026416719554e-19 4.8310432045002e-19 5.08447550446632e-19 5.30895647265606e-19 5.51786428396332e-19 5.720763932893079e-19 5.91634163460546e-19 6.10128088346808e-19 6.273450784557719e-19 6.431938097193e-19 6.57534892770234e-19 6.697819309605301e-19 6.795439931914921e-19 6.869845014797879e-19 6.92471956451238e-19 6.963492239055179e-19 6.9889348040031e-19 7.003066001914979e-19 7.007471987658479e-19 7.00332235017642e-19 6.99193087430868e-19 6.975220172016059e-19 6.9544078975404e-19 6.9290294196578405e-19 6.897178148173919e-19 6.856322644006919e-19 6.80409168573852e-19 6.73704059360562e-19 6.64858442164248e-19 6.5271073892526e-19 6.3594396045045e-19 6.133132154952e-19 5.83514332279434e-19 5.44973973348564e-19 4.95666987437214e-19 4.3291773956660393e-19 3.5282973616284593e-19 2.4849118722686397e-19 1.122856654759488e-19 -6.39963821625156e-20 -2.9184448476627e-19 -5.8542412682716195e-19 -9.630876008170079e-19 -1.468103288913612e-18 ] } }