{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.1563 4.810808 4.596686 4.441115 4.318855 4.218127 4.132469 4.057955 3.992015 3.932879 3.879272 3.830248 3.785086 3.743221 3.704204 3.667672 3.633328 3.600924 3.570253 3.541138 3.51343 3.486998 3.461731 3.43753 3.421054 3.403714 3.385414 3.366042 3.345463 3.323518 3.300012 3.274706 3.247302 3.217419 3.184564 3.14808 3.107066 3.060233 3.005654 2.940248 2.858631 2.75002 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.1563e-10 4.810808e-10 4.5966860000000005e-10 4.441115e-10 4.318855e-10 4.218127e-10 4.1324690000000004e-10 4.057955e-10 3.992015e-10 3.932879e-10 3.879272e-10 3.830248e-10 3.7850860000000004e-10 3.743221e-10 3.7042039999999997e-10 3.667672e-10 3.6333280000000004e-10 3.6009240000000004e-10 3.570253e-10 3.541138e-10 3.51343e-10 3.486998e-10 3.461731e-10 3.4375300000000005e-10 3.421054e-10 3.403714e-10 3.385414e-10 3.3660420000000005e-10 3.345463e-10 3.323518e-10 3.300012e-10 3.2747060000000004e-10 3.247302e-10 3.217419e-10 3.184564e-10 3.1480800000000006e-10 3.107066e-10 3.060233e-10 3.005654e-10 2.940248e-10 2.858631e-10 2.75002e-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" [ 4.63394 5.38661 5.86241 6.14627 6.29912 6.38405 6.48107 6.62204 6.79832 6.99144 7.18555 7.3696 7.53672 7.68323 7.80854 7.91452 8.00397 8.07933 8.14222 8.19349 8.23348 8.26222 8.27959 8.28541 8.2825 8.27273 8.25426 8.22478 8.18149 8.1212 8.04045 7.93553 7.80226 7.6352 7.4261 7.16084 6.81384 6.33727 5.64101 4.55143 2.68447 -0.948753 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.424390330189952e-19 8.630300607367488e-19 9.392616243544128e-19 9.847410099124418e-19 1.0092302795613697e-18 1.0228375656018241e-18 1.0383818831768256e-18 1.0609677670002433e-18 1.0892109364717057e-18 1.1201521713725952e-18 1.151252021758944e-18 1.1807400824647682e-18 1.2075156581515776e-18 1.2309891478229184e-18 1.2510660230581632e-18 1.2680458908854017e-18 1.2823773607584578e-18 1.2944513637728066e-18 1.3045274525410178e-18 1.3127418120758594e-18 1.3191489163824384e-18 1.3237535719906175e-18 1.3265365527809474e-18 1.327469019574253e-18 1.3270027861776002e-18 1.3254374596190784e-18 1.322478239400461e-18 1.3177550227223426e-18 1.3108192001308993e-18 1.301159677284096e-18 1.288222101071136e-18 1.2714120639657024e-18 1.250059856140301e-18 1.2232938935132161e-18 1.189792380372288e-18 1.1472930433289473e-18 1.0916975145871873e-18 1.0153425833697216e-18 9.037894339699008e-19 7.292194737207745e-19 4.3009950732389763e-19 -1.5200698755138623e-19 ] } }