{ "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" [ 8.54707 7.974385 7.619458 7.361585 7.158928 6.991961 6.849976 6.726462 6.61716 6.519136 6.430278 6.349017 6.274157 6.204761 6.140087 6.079532 6.022603 5.968891 5.91805 5.86979 5.823861 5.780049 5.738166 5.69805 5.657495 5.615702 5.572595 5.528087 5.482084 5.434483 5.385169 5.334013 5.280873 5.225588 5.167978 5.107839 5.044939 4.979011 4.90975 4.8368 4.759747 4.6781 4.591278 4.49858 4.399152 4.291939 4.175619 4.0485 3.908369 3.752255 3.576038 3.373763 3.136366 2.84903 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.54707e-10 7.974385e-10 7.619458e-10 7.361585e-10 7.158928000000001e-10 6.991961e-10 6.849976e-10 6.726462e-10 6.61716e-10 6.519136e-10 6.430278e-10 6.349017e-10 6.274157e-10 6.204761000000001e-10 6.140087e-10 6.079532e-10 6.022603e-10 5.968891e-10 5.91805e-10 5.869790000000001e-10 5.823861e-10 5.780049e-10 5.738165999999999e-10 5.698050000000001e-10 5.657495e-10 5.615702e-10 5.572595e-10 5.528087000000001e-10 5.482084e-10 5.434483e-10 5.385169000000001e-10 5.334012999999999e-10 5.280873e-10 5.225588e-10 5.167978e-10 5.107839000000001e-10 5.044939000000001e-10 4.979011e-10 4.90975e-10 4.8368e-10 4.759747e-10 4.6781e-10 4.591278e-10 4.4985799999999997e-10 4.399152e-10 4.2919390000000005e-10 4.1756190000000004e-10 4.0485e-10 3.908369e-10 3.752255e-10 3.576038e-10 3.373763e-10 3.136366e-10 2.84903e-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" [ 0.521486 0.690333 0.83174 0.973201 1.10267 1.21859 1.32173 1.41261 1.4966 1.57773 1.65398 1.72433 1.78837 1.84597 1.89719 1.94215 1.98102 2.01399 2.04125 2.06297 2.07936 2.09058 2.09706 2.09921 2.09683 2.08901 2.07456 2.05225 2.02106 1.97901 1.9236 1.85177 1.75977 1.64163 1.48698 1.28826 1.0379 0.727033 0.340792 -0.14 -0.740108 -1.49184 -2.43775 -3.6332 -5.14461 -7.071 -9.53866 -12.7203 -16.9273 -22.539 -30.1239 -40.7834 -57.091 -406.725 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.35512684158124e-20 1.1060354022791219e-19 1.3325943935631599e-19 1.559239902385434e-19 1.76667210901278e-19 1.95239642442606e-19 2.11764492245682e-19 2.2632507349547398e-19 2.3978175504444e-19 2.52780214076082e-19 2.64996810910332e-19 2.76268123530522e-19 2.86528462694658e-19 2.95757000106498e-19 3.0396334882584597e-19 3.1116673497231e-19 3.17394395548668e-19 3.2267677191096602e-19 3.2704430541524994e-19 3.3052423306429796e-19 3.3315020056742397e-19 3.3494784275077197e-19 3.3598605320960394e-19 3.3633052118591394e-19 3.35949203147022e-19 3.34696301019234e-19 3.32381155783104e-19 3.2880669971264995e-19 3.2380951079120397e-19 3.17072358045234e-19 3.0819469731624e-19 2.9668626255421796e-19 2.81946237521418e-19 2.6301812276734195e-19 2.3824046112253197e-19 2.06402007051684e-19 1.6628991284286e-19 1.164835284746922e-19 5.460089794541279e-20 -2.2430472876000002e-20 -1.185783744236472e-19 -2.39019118966656e-19 -3.9057060895334994e-19 -5.821028146648799e-19 -8.2425739330427395e-19 -1.1328990979014e-18 -1.5282618171670439e-18 -2.03801674374702e-18 -2.7120524536708196e-18 -3.6111459153726e-18 -4.82638087049526e-18 -6.534221053507559e-18 -9.146986621169399e-18 -6.5164529146365e-17 ] } }