{ "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" [ 8.68013 8.098529 7.738075 7.476187 7.270374 7.100808 6.956612 6.831174 6.720171 6.62062 6.530379 6.447853 6.371827 6.301351 6.235669 6.174172 6.116357 6.061808 6.010176 5.961164 5.91452 5.870025 5.82749 5.78675 5.759015 5.729825 5.699019 5.666407 5.631765 5.594823 5.555253 5.512653 5.466521 5.416216 5.360909 5.299492 5.230449 5.151611 5.059733 4.949629 4.812235 4.6294 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.68013e-10 8.098528999999999e-10 7.738075000000001e-10 7.476187e-10 7.270374000000001e-10 7.100808e-10 6.956612e-10 6.831174e-10 6.720171e-10 6.62062e-10 6.530379e-10 6.447853000000001e-10 6.371827e-10 6.301351e-10 6.235669e-10 6.174172000000001e-10 6.116357e-10 6.061808e-10 6.010176e-10 5.961164e-10 5.914520000000001e-10 5.870025e-10 5.827490000000001e-10 5.78675e-10 5.759015e-10 5.729825e-10 5.699019000000001e-10 5.666407e-10 5.631765e-10 5.594823e-10 5.555253000000001e-10 5.512653000000001e-10 5.466521e-10 5.416216e-10 5.360909e-10 5.299492e-10 5.230449e-10 5.151611e-10 5.059733e-10 4.949629e-10 4.812235e-10 4.6294000000000006e-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" [ 1.40516 1.63505 1.8108 1.95312 2.06158 2.14801 2.2196 2.28033 2.331 2.37212 2.40647 2.43656 2.46372 2.48829 2.51027 2.52961 2.54632 2.56048 2.57222 2.58168 2.589 2.59423 2.59739 2.59845 2.59791 2.59614 2.5929 2.58792 2.58096 2.57165 2.55953 2.54382 2.52323 2.49541 2.45616 2.3977 2.31581 2.20269 2.03739 1.77651 1.35039 0.230405 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2513145004833283e-19 2.61963888383904e-19 2.90122142494464e-19 3.129243201616896e-19 3.3030152779088644e-19 3.4414914032446087e-19 3.55619122752768e-19 3.6534914137088643e-19 3.7346737030848003e-19 3.800555205732096e-19 3.855589972656576e-19 3.9037994671764485e-19 3.947314584197376e-19 3.9866800637704324e-19 4.0218959058956157e-19 4.052882001741888e-19 4.0796543730754566e-19 4.1023411940259844e-19 4.1211507475541766e-19 4.1363073383869443e-19 4.1480352712512e-19 4.1564146549779843e-19 4.161477533099712e-19 4.1631758403177607e-19 4.1623106649425285e-19 4.159474812323712e-19 4.1542837600723207e-19 4.146304920500736e-19 4.1351537712199685e-19 4.1202375068803203e-19 4.1008191262362245e-19 4.0756489315234565e-19 4.042660114901184e-19 3.9980875613105286e-19 3.935202128944128e-19 3.8415388836921603e-19 3.710336640214848e-19 3.5290984208699524e-19 3.264258625451712e-19 2.846282788617408e-19 2.163563286962112e-19 3.6914950431542403e-20 ] } }