{ "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 5.25551 5.228872 5.200759 5.170999 5.139386 5.105674 5.069564 5.030688 4.988589 4.942683 4.892211 4.836165 4.773157 4.701212 4.617367 4.516891 4.391509 4.22466 ] "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 5.25551e-10 5.228872e-10 5.200759e-10 5.170999000000001e-10 5.139386000000001e-10 5.105674e-10 5.069564e-10 5.030687999999999e-10 4.988589e-10 4.942683e-10 4.892211e-10 4.836165000000001e-10 4.773157e-10 4.701212e-10 4.617367e-10 4.5168910000000004e-10 4.391509e-10 4.22466e-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 3.05152 3.04918 3.04489 3.03826 3.02878 3.01582 2.99855 2.97586 2.94629 2.90784 2.85767 2.79169 2.70372 2.58403 2.41635 2.17115 1.78872 1.12617 ] "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 4.889074042183679e-19 4.885324948860119e-19 4.87845161110026e-19 4.86782918001684e-19 4.85264054552652e-19 4.83187633634988e-19 4.804206745880699e-19 4.76785335805524e-19 4.720476994987859e-19 4.65887330341056e-19 4.57849210168278e-19 4.47278048737146e-19 4.33183700887848e-19 4.1400724875550196e-19 3.8714195095659e-19 3.4785657989090995e-19 2.86584538876848e-19 1.8043232599117796e-19 ] } }