{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.9327 4.602192 4.397356 4.248531 4.131574 4.035214 3.953271 3.881988 3.818908 3.762336 3.711054 3.664157 3.620953 3.580904 3.543579 3.508631 3.475777 3.444778 3.415437 3.387585 3.361078 3.335793 3.311622 3.28847 3.265065 3.240945 3.216067 3.19038 3.163831 3.136359 3.107899 3.078375 3.047707 3.0158 2.982552 2.947845 2.911543 2.873495 2.833522 2.791421 2.746952 2.699832 2.649725 2.596226 2.538844 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.9327e-10 4.602192e-10 4.397356e-10 4.248531e-10 4.131574e-10 4.035214e-10 3.953271e-10 3.8819880000000005e-10 3.818908e-10 3.762336e-10 3.711054e-10 3.664157e-10 3.620953e-10 3.580904e-10 3.543579e-10 3.5086309999999997e-10 3.475777e-10 3.444778e-10 3.415437e-10 3.387585e-10 3.361078e-10 3.335793e-10 3.311622e-10 3.28847e-10 3.265065e-10 3.240945e-10 3.2160669999999997e-10 3.1903800000000005e-10 3.163831e-10 3.136359e-10 3.1078990000000004e-10 3.0783749999999997e-10 3.047707e-10 3.0158e-10 2.9825520000000003e-10 2.9478450000000003e-10 2.911543e-10 2.8734950000000004e-10 2.833522e-10 2.7914210000000003e-10 2.746952e-10 2.6998319999999997e-10 2.6497250000000004e-10 2.5962260000000003e-10 2.538844e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.12596 1.59691 1.91186 2.16 2.36333 2.53245 2.67563 2.79974 2.90994 3.00956 3.10009 3.18158 3.25337 3.31493 3.36633 3.40819 3.44152 3.46747 3.48713 3.50155 3.51163 3.51818 3.52182 3.52296 3.52182 3.51828 3.51215 3.50315 3.49085 3.47458 3.45325 3.42488 3.38709 3.33685 3.27059 3.18414 3.07261 2.93036 2.7508 2.52618 2.24702 1.90105 1.47133 0.933337 0.250218 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.80398680281864e-19 2.55853188860094e-19 3.0631374194792397e-19 3.46070152944e-19 3.7864721044312197e-19 4.0574322167732995e-19 4.2868318672294197e-19 4.4856780092751595e-19 4.66223787434196e-19 4.821846710621039e-19 4.96689176129706e-19 5.097453135201719e-19 5.21247339575658e-19 5.311103389345619e-19 5.39345526833322e-19 5.460522382232459e-19 5.51392292944368e-19 5.55549941309598e-19 5.58699820572042e-19 5.6101015927827e-19 5.626251533253419e-19 5.63674579020612e-19 5.642577713153879e-19 5.644404194516639e-19 5.642577713153879e-19 5.636906007869519e-19 5.6270846651031e-19 5.6126650753971e-19 5.5929583027989e-19 5.56689088896372e-19 5.5327164613605e-19 5.487262710253919e-19 5.42671645525506e-19 5.3462231011629e-19 5.24006287739406e-19 5.10155470738476e-19 4.92286394739474e-19 4.694954321208239e-19 4.4072674848072e-19 4.04738656927812e-19 3.6001229401306796e-19 3.0458178900657e-19 2.3573305469032197e-19 1.4953707330476579e-19 4.00893433006212e-20 ] } }