{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.30411 8.6807 8.294336 8.013621 7.793014 7.611258 7.456697 7.322243 7.20326 7.096553 6.999824 6.911366 6.829875 6.754333 6.68393 6.618012 6.55604 6.49757 6.442226 6.389692 6.339695 6.292002 6.246409 6.20274 6.173011 6.141723 6.108702 6.073746 6.036614 5.997016 5.954601 5.908939 5.85949 5.805569 5.746285 5.680454 5.606447 5.521941 5.423458 5.30544 5.158168 4.96219 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.30411e-10 8.6807e-10 8.294336e-10 8.013621000000001e-10 7.793014e-10 7.611258e-10 7.456697000000001e-10 7.322243e-10 7.20326e-10 7.096553000000001e-10 6.999824e-10 6.911366e-10 6.829875000000001e-10 6.754333e-10 6.68393e-10 6.618012e-10 6.55604e-10 6.49757e-10 6.442226e-10 6.389692000000001e-10 6.339695e-10 6.292002e-10 6.246409e-10 6.202740000000001e-10 6.173011e-10 6.141723e-10 6.108702e-10 6.073746e-10 6.036614e-10 5.997016000000001e-10 5.954601000000001e-10 5.908939e-10 5.85949e-10 5.805569000000001e-10 5.746285e-10 5.680454e-10 5.606447e-10 5.521941e-10 5.423458e-10 5.30544e-10 5.158168e-10 4.96219e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.22263 1.48095 1.65825 1.79316 1.90106 1.98991 2.06445 2.12778 2.18201 2.2287 2.269 2.30383 2.33388 2.35973 2.38186 2.40064 2.41643 2.42948 2.44005 2.44834 2.45453 2.45879 2.46126 2.46205 2.46167 2.46043 2.45813 2.45456 2.44943 2.44235 2.43282 2.42021 2.40367 2.38201 2.35352 2.31574 2.26491 2.19508 2.09622 1.95004 1.71924 1.31096 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.95886921802742e-19 2.3727434861223e-19 2.6568094033305e-19 2.87295905302344e-19 3.0458339118320397e-19 3.18818730576294e-19 3.3076135520612994e-19 3.4090793982925196e-19 3.49596543715434e-19 3.5707710641957994e-19 3.635338782546e-19 3.69114259470822e-19 3.73928800255992e-19 3.7807042685488197e-19 3.81616043745924e-19 3.84624931464576e-19 3.87154768369662e-19 3.8924560887703196e-19 3.9093910957916993e-19 3.92267314008756e-19 3.9325906134520197e-19 3.93941588591286e-19 3.9433732621988396e-19 3.9446389817397e-19 3.9440301546187796e-19 3.94204345559262e-19 3.93835844933442e-19 3.9326386787510395e-19 3.9244195126186195e-19 3.9130761020498996e-19 3.89780735872788e-19 3.8776039113731395e-19 3.85110390984678e-19 3.81640076395434e-19 3.77075475165168e-19 3.7102245184191594e-19 3.62878588011294e-19 3.5169058857607196e-19 3.35851470372348e-19 3.1243085233653596e-19 2.75452615623816e-19 2.1003894801086398e-19 ] } }