{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.75886 8.171984 7.808262 7.543998 7.336319 7.165215 7.019712 6.893136 6.781126 6.680673 6.589613 6.506338 6.429623 6.358508 6.292231 6.230175 6.171836 6.116792 6.064692 6.015236 5.968169 5.923271 5.88035 5.83924 5.811253 5.781798 5.750713 5.717805 5.682849 5.645572 5.605643 5.562657 5.516106 5.465344 5.409535 5.347562 5.277892 5.198338 5.105627 4.994524 4.855884 4.67139 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.75886e-10 8.171984e-10 7.808262e-10 7.543998e-10 7.336319e-10 7.165215e-10 7.019712000000001e-10 6.893136000000001e-10 6.781126e-10 6.680673e-10 6.589613e-10 6.506338e-10 6.429623e-10 6.358508e-10 6.292231000000001e-10 6.230175e-10 6.171836e-10 6.116792000000001e-10 6.064692e-10 6.015236e-10 5.968169e-10 5.923271e-10 5.88035e-10 5.83924e-10 5.811253e-10 5.781798e-10 5.750713000000001e-10 5.717805e-10 5.682849e-10 5.645572e-10 5.605643e-10 5.562657e-10 5.516106e-10 5.465344e-10 5.409535000000001e-10 5.347562000000001e-10 5.277891999999999e-10 5.198338e-10 5.105627000000001e-10 4.994524e-10 4.855884e-10 4.67139e-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" [ 0.954553 1.29002 1.52796 1.70905 1.85465 1.97704 2.08325 2.17732 2.26165 2.33773 2.40652 2.46867 2.52464 2.57479 2.61939 2.65868 2.69284 2.72204 2.74643 2.76614 2.78128 2.79198 2.79832 2.80042 2.79939 2.79597 2.78956 2.77941 2.76451 2.74354 2.71474 2.6757 2.62309 2.55213 2.45586 2.32372 2.13908 1.87434 1.48069 0.863854 -0.181518 -2.19378 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5293624999145024e-19 2.066839884364416e-19 2.448061789517568e-19 2.73819995377824e-19 2.97147686976672e-19 3.167567266386432e-19 3.3377344452816e-19 3.488451200000256e-19 3.62356275443232e-19 3.7454563517427842e-19 3.855670081487616e-19 3.955245358470336e-19 4.0449191839365125e-19 4.125268341469632e-19 4.1967254187573125e-19 4.2596749381885444e-19 4.314405291555072e-19 4.361188848882431e-19 4.400265936663744e-19 4.431844837859712e-19 4.456101791898625e-19 4.473245081741184e-19 4.483402881517056e-19 4.486767452420736e-19 4.485117210501312e-19 4.479637766458176e-19 4.469367814318848e-19 4.453105721617728e-19 4.429233289967808e-19 4.395635646229632e-19 4.349492959550592e-19 4.2869439842745604e-19 4.202653472254272e-19 4.088963019242304e-19 3.934721475957888e-19 3.723009857285376e-19 3.427183966020864e-19 3.003023727430272e-19 2.372326900652352e-19 1.3840466825845633e-19 -2.908238958543744e-20 -3.514823027178624e-19 ] } }