{ "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.22251 5.805579 5.547182 5.359442 5.211902 5.090345 4.986976 4.897054 4.817479 4.746115 4.681423 4.622263 4.567762 4.517241 4.470156 4.42607 4.384624 4.34552 4.308507 4.273372 4.239934 4.208037 4.177545 4.14834 4.128458 4.107532 4.085448 4.06207 4.037236 4.010753 3.982387 3.951848 3.918777 3.882715 3.843067 3.799039 3.749544 3.693027 3.627163 3.548233 3.449739 3.31867 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.22251e-10 5.805579e-10 5.547182000000001e-10 5.359442e-10 5.211902e-10 5.090345e-10 4.986976e-10 4.897054e-10 4.817479e-10 4.746114999999999e-10 4.681423e-10 4.622263e-10 4.5677620000000003e-10 4.5172410000000003e-10 4.470156e-10 4.42607e-10 4.384624e-10 4.34552e-10 4.308507e-10 4.2733720000000003e-10 4.239934e-10 4.2080370000000003e-10 4.1775450000000007e-10 4.1483400000000004e-10 4.1284580000000003e-10 4.107532e-10 4.0854480000000005e-10 4.0620700000000006e-10 4.0372360000000004e-10 4.0107530000000003e-10 3.982387e-10 3.951848e-10 3.918777e-10 3.882715e-10 3.843067e-10 3.799039e-10 3.7495440000000004e-10 3.693027e-10 3.627163e-10 3.5482330000000004e-10 3.449739e-10 3.31867e-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" [ 1.26563 2.10859 2.58061 2.9194 3.18581 3.40493 3.59181 3.75754 3.90884 4.0484 4.17627 4.29157 4.39377 4.48298 4.55983 4.62527 4.68026 4.72576 4.76257 4.79142 4.81291 4.82755 4.83589 4.83853 4.83731 4.83339 4.82638 4.81579 4.80108 4.78155 4.75628 4.72394 4.68238 4.62796 4.55416 4.44943 4.29393 4.0554 3.68497 3.10775 2.18519 0.540552 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0277627965831042e-19 3.3783336008526723e-19 4.1345930094026883e-19 4.67739442676352e-19 5.104230300310849e-19 5.455299241460544e-19 5.754714008355649e-19 6.020242739720833e-19 6.262652062447873e-19 6.486251831646721e-19 6.691122156148415e-19 6.8758531205266565e-19 7.039595571172417e-19 7.182525747513985e-19 7.305653020822464e-19 7.410499458887617e-19 7.498603151265408e-19 7.571502187511809e-19 7.630478308923457e-19 7.676701104433536e-19 7.711131880014527e-19 7.73458774574304e-19 7.747949898760513e-19 7.752179645039425e-19 7.750224989562049e-19 7.743944457208511e-19 7.732713199096705e-19 7.715746148682432e-19 7.692178130590464e-19 7.66088762118624e-19 7.620400617978625e-19 7.568586226061952e-19 7.501999765701505e-19 7.414809313997568e-19 7.296568679382529e-19 7.128772721886145e-19 6.879634257351744e-19 6.49746706799232e-19 5.903972782349376e-19 4.9791643932912e-19 3.501060330005952e-19 8.660597767266817e-20 ] } }