{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.11259 5.703024 5.449191 5.264768 5.119834 5.000425 4.898882 4.810548 4.732379 4.662275 4.598726 4.540611 4.487073 4.437444 4.391191 4.347884 4.30717 4.268757 4.232397 4.197883 4.165036 4.133703 4.10375 4.07506 4.055529 4.034973 4.013279 3.990314 3.965919 3.939904 3.912039 3.88204 3.849554 3.814129 3.775181 3.731931 3.683311 3.627793 3.563092 3.485556 3.388803 3.26005 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.11259e-10 5.703024e-10 5.449191e-10 5.264768e-10 5.119834e-10 5.000425e-10 4.898882000000001e-10 4.810548e-10 4.732379e-10 4.662275000000001e-10 4.5987260000000004e-10 4.540611e-10 4.4870729999999996e-10 4.437444e-10 4.391191e-10 4.3478839999999996e-10 4.30717e-10 4.268757e-10 4.232397e-10 4.1978830000000003e-10 4.1650359999999997e-10 4.133703e-10 4.10375e-10 4.07506e-10 4.055529e-10 4.034973e-10 4.013279e-10 3.9903140000000005e-10 3.965919e-10 3.9399039999999997e-10 3.912039e-10 3.88204e-10 3.849554e-10 3.814129e-10 3.775181e-10 3.731931e-10 3.683311e-10 3.627793e-10 3.5630920000000004e-10 3.485556e-10 3.388803e-10 3.26005e-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" [ 0.0456698 0.214788 0.478543 0.790278 1.11941 1.4486 1.76825 2.07306 2.36011 2.62786 2.87558 3.10301 3.31018 3.49731 3.66471 3.81275 3.94183 4.05238 4.14481 4.21954 4.27699 4.31755 4.34162 4.34956 4.34566 4.33272 4.3085 4.27013 4.21386 4.1348 4.02635 3.87959 3.68211 3.41629 3.05635 2.56336 1.87588 0.891757 -0.570812 -2.86645 -6.78204 -14.441 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.317108583661185e-21 3.4412831202839045e-20 7.667104066474944e-20 1.2661649355325826e-19 1.7934925310897282e-19 2.3209130528908805e-19 2.8330488097296005e-19 3.321408265515648e-19 3.7813130645162886e-19 4.210295854735488e-19 4.607187047240064e-19 4.971570076108608e-19 5.303493006639744e-19 5.603308317690049e-19 5.871512684011968e-19 6.1086989109552e-19 6.315507869168065e-19 6.492628494597505e-19 6.640717679658048e-19 6.760448338530433e-19 6.852493385395392e-19 6.91747766913504e-19 6.956042060397696e-19 6.968763342766849e-19 6.962514853945727e-19 6.941782688472577e-19 6.902977970716801e-19 6.841502453776704e-19 6.751347975324289e-19 6.624679891683841e-19 6.45092383715808e-19 6.215788396289472e-19 5.899390557213889e-19 5.473499967872833e-19 4.89681251498208e-19 4.106955462693888e-19 3.005491079426304e-19 1.4287522168347458e-19 -9.145416412720896e-20 -4.59255917469216e-19 -1.0866025929330433e-18 -2.3137032580972803e-18 ] } }