{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.10516 5.696092 5.442569 5.25837 5.113612 4.994348 4.892929 4.804703 4.726629 4.65661 4.593139 4.535095 4.481622 4.432053 4.385856 4.342602 4.301938 4.263571 4.227256 4.192784 4.159977 4.128681 4.098765 4.07011 4.041141 4.011289 3.980497 3.948705 3.915845 3.881844 3.846619 3.810078 3.77212 3.732629 3.691479 3.648521 3.603591 3.556499 3.507026 3.454918 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.105159999999999e-10 5.696092e-10 5.442569e-10 5.25837e-10 5.113612000000001e-10 4.994348e-10 4.892929e-10 4.804703e-10 4.726629e-10 4.65661e-10 4.593139e-10 4.535095e-10 4.481622e-10 4.432053e-10 4.385856000000001e-10 4.342602e-10 4.301938e-10 4.2635709999999997e-10 4.227256e-10 4.192784e-10 4.1599769999999995e-10 4.1286810000000006e-10 4.0987650000000006e-10 4.07011e-10 4.041141e-10 4.011289e-10 3.9804970000000004e-10 3.948705e-10 3.915845e-10 3.881844e-10 3.8466190000000003e-10 3.810078e-10 3.7721200000000005e-10 3.7326290000000006e-10 3.691479e-10 3.6485210000000004e-10 3.6035910000000006e-10 3.5564990000000003e-10 3.5070260000000004e-10 3.454918e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.700496 1.1608 1.48676 1.78226 2.06348 2.30814 2.51678 2.70242 2.86941 3.02062 3.16074 3.28737 3.39746 3.49764 3.58645 3.66171 3.72433 3.77659 3.82026 3.85688 3.88645 3.90747 3.92004 3.92422 3.91984 3.90586 3.88053 3.84045 3.78068 3.69631 3.58208 3.43435 3.24811 3.0161 2.72481 2.3501 1.86477 1.24229 0.458136 -0.531532 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1223183234104639e-19 1.8598066367472e-19 2.38205213236584e-19 2.8554953277128396e-19 3.30605944072632e-19 3.6980479760007598e-19 4.032326108918519e-19 4.3297541792542797e-19 4.597301655365939e-19 4.83956678419308e-19 5.06406377414916e-19 5.266947401312579e-19 5.443331026949639e-19 5.60383708214376e-19 5.7461263890093e-19 5.866706202484139e-19 5.96703450330522e-19 6.05076425419806e-19 6.120731307804839e-19 6.179403016141919e-19 6.2267793792092995e-19 6.26045713205598e-19 6.28059649234536e-19 6.28729359067548e-19 6.28027605701856e-19 6.257877627675239e-19 6.217294493536019e-19 6.1530792540453e-19 6.057317156631119e-19 5.9221415140205395e-19 5.739124877118719e-19 5.502435322977899e-19 5.20404594666174e-19 4.832324945807399e-19 4.36562691408954e-19 3.7652753075633993e-19 2.98769092178418e-19 1.9903680106518596e-19 7.340147943942239e-20 -8.51608150623288e-20 ] } }