{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.31641 8.692176 8.305301 8.024215 7.803316 7.62132 7.466555 7.331923 7.212783 7.105935 7.009078 6.920503 6.838904 6.763262 6.692766 6.626761 6.564707 6.50616 6.450743 6.398139 6.348076 6.30032 6.254667 6.21094 6.166734 6.12118 6.074192 6.025678 5.975535 5.923649 5.869895 5.814135 5.756211 5.69595 5.633154 5.567602 5.49904 5.427178 5.351682 5.272166 5.188177 5.099181 5.004544 4.903502 4.795123 4.67826 4.55147 4.412908 4.260164 4.089998 3.897918 3.677437 3.41867 3.10547 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.31641e-10 8.692176e-10 8.305301000000001e-10 8.024215e-10 7.803316e-10 7.621320000000001e-10 7.466555e-10 7.331923e-10 7.212783e-10 7.105935e-10 7.009078e-10 6.920503e-10 6.838904e-10 6.763262e-10 6.692766e-10 6.626761e-10 6.564707e-10 6.50616e-10 6.450743000000001e-10 6.398139e-10 6.348076e-10 6.300320000000001e-10 6.254667000000001e-10 6.21094e-10 6.166734e-10 6.12118e-10 6.074192e-10 6.025678e-10 5.975535e-10 5.923649e-10 5.869895e-10 5.814135e-10 5.756211000000001e-10 5.69595e-10 5.633154000000001e-10 5.567602e-10 5.49904e-10 5.427178e-10 5.351682000000001e-10 5.272166e-10 5.188177e-10 5.099180999999999e-10 5.004544e-10 4.903501999999999e-10 4.795123e-10 4.67826e-10 4.5514700000000005e-10 4.412908e-10 4.260164e-10 4.0899979999999997e-10 3.897918e-10 3.677437e-10 3.41867e-10 3.10547e-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" [ 0.830807 1.48095 1.65825 1.79316 1.90106 1.98991 2.06446 2.12778 2.18201 2.2287 2.269 2.30383 2.33388 2.35973 2.38186 2.40065 2.41643 2.42948 2.44005 2.44834 2.45453 2.45879 2.46126 2.46205 2.46121 2.4585 2.45363 2.44626 2.43599 2.42234 2.40474 2.38252 2.35484 2.32074 2.27906 2.22837 2.16688 2.09239 2.00213 1.89262 1.75941 1.59672 1.39689 1.14899 0.838841 0.446475 -0.0621185 -0.737936 -1.66461 -2.98786 -4.98082 -8.20558 -13.9689 -25.8202 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.331099562763638e-19 2.3727434861223e-19 2.6568094033305e-19 2.87295905302344e-19 3.0458339118320397e-19 3.18818730576294e-19 3.30762957382764e-19 3.4090793982925196e-19 3.49596543715434e-19 3.5707710641957994e-19 3.635338782546e-19 3.69114259470822e-19 3.73928800255992e-19 3.7807042685488197e-19 3.81616043745924e-19 3.8462653364121e-19 3.87154768369662e-19 3.8924560887703196e-19 3.9093910957916993e-19 3.92267314008756e-19 3.9325906134520197e-19 3.93941588591286e-19 3.9433732621988396e-19 3.9446389817397e-19 3.9432931533671395e-19 3.9389512546889995e-19 3.9311486544814197e-19 3.91934061268884e-19 3.9028862586576596e-19 3.88101654760356e-19 3.8528182388451597e-19 3.8172178740376797e-19 3.7728696248085595e-19 3.7182354015891593e-19 3.6514566794840397e-19 3.57024234590658e-19 3.47172450468192e-19 3.3523783672152597e-19 3.20776590423042e-19 3.0323115410410797e-19 2.8188855916259396e-19 2.55822747504048e-19 2.23806451826826e-19 1.8408849306996598e-19 1.343971449841194e-19 7.1533181266515e-20 -9.9524809239129e-21 -1.182303816587424e-19 -2.6669992467227396e-19 -4.78707947766324e-19 -7.980153422159879e-19 -1.3146788544417719e-18 -2.23806451826826e-18 -4.13685211252068e-18 ] } }