{ "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" [ 5.00155 4.666428 4.458733 4.307832 4.189242 4.091537 4.00845 3.936173 3.872212 3.81485 3.762853 3.715301 3.671494 3.630886 3.59304 3.557604 3.524291 3.49286 3.463109 3.434868 3.407992 3.382354 3.357845 3.33437 3.318389 3.30157 3.283819 3.265028 3.245067 3.223781 3.200981 3.176434 3.149853 3.120867 3.088998 3.05361 3.013827 2.9684 2.915459 2.852017 2.77285 2.6675 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.00155e-10 4.666428e-10 4.458733e-10 4.307832000000001e-10 4.1892420000000003e-10 4.0915369999999997e-10 4.0084499999999997e-10 3.9361730000000005e-10 3.8722120000000005e-10 3.81485e-10 3.762853e-10 3.7153010000000004e-10 3.6714940000000003e-10 3.630886e-10 3.5930399999999997e-10 3.557604e-10 3.524291e-10 3.49286e-10 3.4631090000000005e-10 3.434868e-10 3.407992e-10 3.382354e-10 3.3578450000000004e-10 3.33437e-10 3.3183889999999997e-10 3.30157e-10 3.283819e-10 3.265028e-10 3.2450670000000003e-10 3.223781e-10 3.2009810000000003e-10 3.176434e-10 3.1498529999999996e-10 3.1208670000000004e-10 3.0889980000000003e-10 3.0536100000000003e-10 3.0138270000000003e-10 2.9684e-10 2.915459e-10 2.8520170000000003e-10 2.77285e-10 2.6675e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 9.73334e-15 8.04777e-05 0.00710609 0.048926 0.144031 0.287288 0.463323 0.656334 0.853594 1.04593 1.22724 1.39416 1.54569 1.68214 1.80385 1.9105 2.00103 2.07398 2.12777 2.16091 2.17218 2.16646 2.1472 2.11059 2.05175 1.96444 1.84058 1.6696 1.43755 1.12579 0.708881 0.151594 -0.596175 -1.60791 -2.99556 -4.93833 -7.74307 -11.9875 -18.9283 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.5594529790297474e-33 1.2893948943575617e-23 1.1385211263300672e-21 7.83880933492608e-21 2.307631008704448e-20 4.6028611703639044e-20 7.423252784789185e-20 1.0515629902361472e-19 1.3676083504551552e-19 1.6757645929933442e-19 1.9662552361105922e-19 2.2336905576545284e-19 2.476468381004352e-19 2.695085380912512e-19 2.8900862974300803e-19 3.0609584340384005e-19 3.206003483519424e-19 3.3228822680067844e-19 3.4090633484396163e-19 3.462159481652928e-19 3.4802160121693444e-19 3.471051561898368e-19 3.4401936401817604e-19 3.3815379540942726e-19 3.2872658817264006e-19 3.147379840964352e-19 2.9489342447120646e-19 2.67499408608768e-19 2.30320900123104e-19 1.8037144179304323e-19 1.1357525651293247e-19 2.4288036265355524e-20 -9.5517764690544e-20 -2.576155810350528e-19 -4.799416198203648e-19 -7.912076871795264e-19 -1.2405765727217857e-18 -1.920609224184e-18 -3.0326479731488642e-18 ] } }