{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 7.92123 7.390478 7.06154 6.822548 6.63473 6.479989 6.3484 6.23393 6.132632 6.041785 5.959433 5.884122 5.814743 5.750429 5.69049 5.634369 5.581609 5.531829 5.484711 5.439985 5.397419 5.356815 5.317998 5.28082 5.243234 5.204502 5.164551 5.123302 5.080668 5.036552 4.990849 4.943438 4.894189 4.842952 4.789561 4.733825 4.675531 4.61443 4.550241 4.482632 4.411221 4.335553 4.255088 4.169177 4.077029 3.977667 3.869864 3.752053 3.622182 3.4775 3.314185 3.126722 2.906707 2.64041 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.921230000000001e-10 7.390478e-10 7.06154e-10 6.822548000000001e-10 6.63473e-10 6.479989e-10 6.348400000000001e-10 6.23393e-10 6.132632e-10 6.041785e-10 5.959433e-10 5.884122e-10 5.814743e-10 5.750429e-10 5.69049e-10 5.634369e-10 5.581609e-10 5.531829e-10 5.484711e-10 5.439985e-10 5.397419e-10 5.356815e-10 5.317998e-10 5.28082e-10 5.243234000000001e-10 5.204502e-10 5.164551000000001e-10 5.123302e-10 5.080668e-10 5.036552e-10 4.990849e-10 4.943438e-10 4.894189e-10 4.842952000000001e-10 4.789561e-10 4.733825e-10 4.675531000000001e-10 4.61443e-10 4.550241e-10 4.482632e-10 4.411221e-10 4.335553e-10 4.255088e-10 4.1691770000000004e-10 4.077029e-10 3.977667e-10 3.869864e-10 3.7520530000000004e-10 3.622182e-10 3.4775e-10 3.314185e-10 3.126722e-10 2.906707e-10 2.64041e-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" [ 0.768834 0.986584 1.15794 1.34849 1.56765 1.79032 1.99533 2.17408 2.32592 2.45348 2.62344 2.71028 2.77991 2.83816 2.88676 2.92711 2.96033 2.9873 3.00879 3.0254 3.03764 3.04596 3.05072 3.05224 3.05065 3.04557 3.03653 3.02298 3.00424 2.97956 2.94801 2.90853 2.8598 2.80028 2.72808 2.64093 2.53602 2.40989 2.25821 2.07553 1.85494 1.58748 1.26147 0.861393 0.366305 -0.252676 -1.03629 -2.04358 -3.36291 -5.13175 -7.57442 -11.0793 -16.3738 -24.9702 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.231807870224756e-19 1.580681832278256e-19 1.85522441157396e-19 2.1605191691826598e-19 2.5116522002900997e-19 2.86840887138288e-19 3.19687110311922e-19 3.48326017644672e-19 3.72653467655328e-19 3.93090832798632e-19 4.2032142687009595e-19 4.342347287597519e-19 4.45390684662294e-19 4.547233635553439e-19 4.62509941996584e-19 4.68974724714774e-19 4.74297155492922e-19 4.786182258748199e-19 4.820613034612859e-19 4.847225188503599e-19 4.86683583050376e-19 4.88016594009864e-19 4.88779230087648e-19 4.890227609360159e-19 4.8876801485121e-19 4.879541091211379e-19 4.86505741444002e-19 4.8433479210493195e-19 4.81332313092816e-19 4.77378141160104e-19 4.72323273879834e-19 4.659978805288019e-19 4.5819047379132e-19 4.48654318465752e-19 4.37086603168272e-19 4.2312363380296197e-19 4.06315198735668e-19 3.8610694485102595e-19 3.61805129666514e-19 3.32536566916602e-19 2.9719415254719597e-19 2.54342336294232e-19 2.02109775849198e-19 1.380103737291162e-19 5.8688531191737e-20 -4.04831583172584e-20 -1.6603196240478599e-19 -3.2741761257097196e-19 -5.387975824244939e-19 -8.2219699415295e-19 -1.2135558740102278e-18 -1.77509955810762e-18 -2.6233719769789195e-18 -4.0006670986306794e-18 ] } }