{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.55973 4.254211 4.064863 3.927291 3.819177 3.730102 3.654356 3.588462 3.530152 3.477857 3.430453 3.387101 3.347164 3.310143 3.27564 3.243335 3.212964 3.184309 3.157187 3.131441 3.106938 3.083565 3.061221 3.03982 3.018184 2.995889 2.972892 2.949147 2.924606 2.899211 2.872903 2.845612 2.817262 2.787768 2.757034 2.724951 2.691395 2.656223 2.619274 2.580356 2.539249 2.495692 2.449374 2.39992 2.346877 2.289681 2.227626 2.15981 2.085052 2.001767 1.907758 1.799848 1.673199 1.51991 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.55973e-10 4.254211e-10 4.064863e-10 3.927291e-10 3.819177e-10 3.730102e-10 3.6543560000000003e-10 3.588462e-10 3.530152e-10 3.477857e-10 3.430453e-10 3.387101e-10 3.347164e-10 3.310143e-10 3.2756400000000004e-10 3.2433350000000004e-10 3.212964e-10 3.184309e-10 3.157187e-10 3.1314410000000003e-10 3.106938e-10 3.0835650000000003e-10 3.061221e-10 3.0398200000000004e-10 3.0181840000000006e-10 2.995889e-10 2.972892e-10 2.949147e-10 2.924606e-10 2.899211e-10 2.872903e-10 2.845612e-10 2.817262e-10 2.787768e-10 2.757034e-10 2.724951e-10 2.691395e-10 2.6562229999999997e-10 2.619274e-10 2.580356e-10 2.539249e-10 2.495692e-10 2.4493740000000003e-10 2.39992e-10 2.3468770000000004e-10 2.289681e-10 2.227626e-10 2.15981e-10 2.0850520000000003e-10 2.001767e-10 1.9077580000000002e-10 1.799848e-10 1.6731990000000002e-10 1.5199100000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0.0185392 0.238865 0.77497 1.45918 2.11234 2.65696 3.07982 3.3942 3.62151 3.78343 3.89869 3.98205 4.04409 4.09167 4.12871 4.1569 4.17673 4.18844 4.1923 4.18808 4.17427 4.14885 4.10941 4.05321 3.97722 3.87817 3.75246 3.59584 3.40286 3.16601 2.87488 2.51561 2.071 1.51941 0.832479 -0.0273791 -1.11078 -2.487 -4.25256 -6.54463 -9.56398 -13.6404 -19.3763 -27.7056 -39.8199 -57.8851 -87.9147 -141.532 -244.051 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 2.9703073053052796e-21 3.8270392168040994e-20 1.24163882605098e-19 2.3378641008001195e-19 3.38434179106356e-19 4.25691922947264e-19 4.934415640925879e-19 5.4381079311228e-19 5.80229870179734e-19 6.061723142374619e-19 6.24639002120946e-19 6.3799474654197e-19 6.479346503793059e-19 6.555578068038779e-19 6.614922690562139e-19 6.6600880498746e-19 6.691859212526819e-19 6.71062070091096e-19 6.7168051027182e-19 6.710043917322719e-19 6.687917858007179e-19 6.6471905279709e-19 6.584000681525939e-19 6.493958354695139e-19 6.372208952277479e-19 6.213513356679779e-19 6.01210373201964e-19 5.76117082760256e-19 5.451982780773239e-19 5.07250724501034e-19 4.60606556155392e-19 4.03045156225674e-19 3.318107809014e-19 2.4343631994659396e-19 1.3337784020956857e-19 -4.38661542799494e-21 -1.77966576151452e-19 -3.9846132887579997e-19 -6.813352266683039e-19 -1.048565326417542e-18 -1.532318528404332e-18 -2.1854330158413597e-18 -3.10442551133742e-18 -4.43892649509504e-18 -6.379851334821659e-18 -9.27421546767534e-18 -1.4085487812511978e-17 -2.2675926336328802e-17 -3.9101280970433396e-17 ] } }