{ "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" [ 4.90743 4.578614 4.374827 4.226765 4.110406 4.01454 3.933017 3.862099 3.799342 3.74306 3.69204 3.645383 3.602401 3.562556 3.525422 3.490654 3.457967 3.427127 3.397937 3.370227 3.343856 3.318701 3.294653 3.27162 3.25594 3.239437 3.22202 3.203583 3.183998 3.163112 3.140741 3.116657 3.090575 3.062135 3.030866 2.996144 2.957109 2.912537 2.860593 2.798345 2.720668 2.6173 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.90743e-10 4.578614e-10 4.374827e-10 4.2267650000000006e-10 4.1104060000000005e-10 4.0145400000000003e-10 3.933017e-10 3.862099e-10 3.7993420000000005e-10 3.74306e-10 3.69204e-10 3.645383e-10 3.602401e-10 3.562556e-10 3.525422e-10 3.4906540000000005e-10 3.457967e-10 3.4271270000000003e-10 3.397937e-10 3.370227e-10 3.343856e-10 3.318701e-10 3.294653e-10 3.27162e-10 3.25594e-10 3.239437e-10 3.22202e-10 3.203583e-10 3.183998e-10 3.163112e-10 3.140741e-10 3.116657e-10 3.090575e-10 3.062135e-10 3.0308660000000004e-10 2.996144e-10 2.9571090000000003e-10 2.912537e-10 2.8605930000000003e-10 2.798345e-10 2.720668e-10 2.6173000000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 3.67662e-07 0.0030126 0.0488209 0.191723 0.434395 0.749747 1.10763 1.48361 1.85986 2.22414 2.56943 2.89338 3.19588 3.4765 3.7333 3.96287 4.16088 4.32258 4.44323 4.51844 4.54429 4.53099 4.4858 4.39899 4.25786 4.04565 3.7401 3.31127 2.71839 1.90507 0.791957 -0.735199 -2.845 -5.79476 -9.9928 -16.1221 -25.4067 -40.264 -66.2232 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 5.890594607565697e-26 4.82671728782208e-22 7.821970458641473e-21 3.071741082696384e-20 6.95977513192416e-20 1.2012271149149379e-19 1.774618890496704e-19 2.3770052563850885e-19 2.979824209961088e-19 3.563465109386112e-19 4.1166806747821443e-19 4.635705791090304e-19 5.120364218882304e-19 5.569967022211201e-19 5.98140597843264e-19 6.349217665269697e-19 6.666464657954304e-19 6.925536617537665e-19 7.118839226837184e-19 7.239338930487552e-19 7.280755196135232e-19 7.2594462470785925e-19 7.1870438855846405e-19 7.047958933132993e-19 6.821843746639489e-19 6.481845845939521e-19 5.99230077945408e-19 5.305239379156416e-19 4.355340904216512e-19 3.052258614987456e-19 1.2688549900789058e-19 -1.1779186494355393e-19 -4.558192486176001e-19 -9.284228995147008e-19 -1.6010230536330243e-18 -2.583045169819968e-18 -4.070602075167937e-18 -6.451003945989121e-18 -1.0610126279456257e-17 ] } }