{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.16982 7.622413 7.283151 7.03666 6.842948 6.68335 6.547633 6.42957 6.325093 6.231395 6.146459 6.068785 5.997228 5.930896 5.869076 5.811194 5.756778 5.705436 5.65684 5.61071 5.566808 5.524929 5.484895 5.44655 5.407785 5.367837 5.326632 5.284089 5.240117 5.194617 5.147479 5.098581 5.047786 4.994941 4.939874 4.88239 4.822266 4.759248 4.693044 4.623314 4.549662 4.471619 4.388629 4.300022 4.204982 4.102502 3.991316 3.869808 3.735862 3.586639 3.418199 3.224853 2.997933 2.72328 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.16982e-10 7.622413e-10 7.283151e-10 7.036660000000001e-10 6.842948e-10 6.68335e-10 6.547633e-10 6.42957e-10 6.325093e-10 6.231395e-10 6.146459000000001e-10 6.068785e-10 5.997228e-10 5.930896e-10 5.869076e-10 5.811194000000001e-10 5.756778e-10 5.705436e-10 5.65684e-10 5.61071e-10 5.566808e-10 5.524929e-10 5.484895e-10 5.44655e-10 5.407785e-10 5.367837e-10 5.326632e-10 5.284089e-10 5.240117e-10 5.194617e-10 5.147479e-10 5.098581e-10 5.047786000000001e-10 4.994941e-10 4.939874e-10 4.882390000000001e-10 4.822266000000001e-10 4.759248e-10 4.693044000000001e-10 4.623314e-10 4.5496619999999996e-10 4.4716189999999997e-10 4.388629e-10 4.3000220000000004e-10 4.2049820000000004e-10 4.1025020000000007e-10 3.991316e-10 3.869808e-10 3.7358620000000003e-10 3.586639e-10 3.4181990000000003e-10 3.224853e-10 2.997933e-10 2.72328e-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" [ 0.526444 1.01306 1.40495 1.77272 2.02016 2.19084 2.32757 2.44791 2.55526 2.65126 2.7387 2.8204 2.89806 2.97191 3.04127 3.10516 3.16261 3.21281 3.25533 3.28986 3.31543 3.33234 3.34171 3.34464 3.34157 3.3317 3.31393 3.28731 3.25105 3.20391 3.14369 3.06719 2.96971 2.84408 2.68043 2.46893 2.20538 1.89274 1.52675 1.06143 0.379148 -0.610573 -1.80571 -2.98105 -3.89127 -4.44444 -5.04453 -4.82622 -2.81078 -2.8256 -5.08573 -4.93148 -32.8679 -279.897 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.43456275909496e-20 1.62310106084004e-19 2.2509780619382996e-19 2.84021056262448e-19 3.23665314894144e-19 3.51011265683256e-19 3.72917826799938e-19 3.9219842041349395e-19 4.09397786579484e-19 4.24778682265884e-19 4.3878811475358e-19 4.518778978533599e-19 4.64320401593004e-19 4.761524760350939e-19 4.872651731685179e-19 4.97501479683144e-19 5.067059844454739e-19 5.14748911148154e-19 5.21561366195922e-19 5.270936821131239e-19 5.31190447766262e-19 5.33899728454356e-19 5.35400967960414e-19 5.35870405714176e-19 5.35378537487538e-19 5.3379718914978e-19 5.30950121271162e-19 5.26685127071454e-19 5.2087563459657e-19 5.13322973943894e-19 5.03674666253946e-19 4.91418015003846e-19 4.75799997175614e-19 4.556718521226719e-19 4.2945223150726195e-19 3.9556619569816197e-19 3.53340830509092e-19 3.03250380223716e-19 2.4461231759595e-19 1.70059834462662e-19 6.074620664278319e-20 -9.78245793951282e-20 -2.8930663697801397e-19 -4.7761686547857e-19 -6.23450187058518e-19 -7.120777919214959e-19 -8.082228095512019e-19 -7.73245691454348e-19 -4.50336603931452e-19 -4.5271102970304e-19 -8.14823777283282e-19 -7.901102027038319e-19 -5.266018138864859e-18 -4.4844443332669796e-17 ] } }