{ "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" [ 9.44806 8.815006 8.422664 8.137607 7.913586 7.729019 7.572067 7.435532 7.314708 7.206351 7.108126 7.018299 6.935547 6.858836 6.787344 6.720406 6.657476 6.598101 6.541901 6.488554 6.437784 6.389352 6.343055 6.29871 6.268521 6.236749 6.203217 6.167721 6.130014 6.089803 6.046733 6.000364 5.95015 5.895395 5.835195 5.768345 5.693193 5.60738 5.507374 5.38753 5.23798 5.03897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.44806e-10 8.815006000000001e-10 8.422663999999999e-10 8.137606999999999e-10 7.913586e-10 7.729019000000001e-10 7.572067e-10 7.435532000000001e-10 7.314708000000001e-10 7.206351e-10 7.108126000000001e-10 7.018299e-10 6.935547e-10 6.858836e-10 6.787344e-10 6.720406e-10 6.657476000000001e-10 6.598101000000001e-10 6.541901e-10 6.488554e-10 6.437784e-10 6.389352e-10 6.343055e-10 6.29871e-10 6.268521e-10 6.236749e-10 6.203217000000001e-10 6.167721000000001e-10 6.130014e-10 6.089803e-10 6.046733e-10 6.000364e-10 5.95015e-10 5.895395e-10 5.835195e-10 5.768345e-10 5.693193e-10 5.607380000000001e-10 5.507374000000001e-10 5.387530000000001e-10 5.237980000000001e-10 5.038970000000001e-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" [ 1.19894 1.44945 1.62012 1.74993 1.85409 1.94029 2.01304 2.07523 2.12884 2.1753 2.21567 2.25078 2.28128 2.30768 2.33041 2.34984 2.36626 2.37992 2.39105 2.39984 2.40644 2.41102 2.41368 2.41451 2.41411 2.41278 2.41031 2.40644 2.40084 2.39307 2.38258 2.36861 2.35015 2.32578 2.29346 2.25022 2.19146 2.10983 1.99273 1.81468 1.53105 1.02119 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.920913637741952e-19 2.32227490301856e-19 2.595718386890496e-19 2.803696934036544e-19 2.970579650859072e-19 3.1086872755720322e-19 3.2252456247352324e-19 3.324884988782784e-19 3.4107776774238718e-19 3.4852148032262403e-19 3.5498946734079357e-19 3.6061470945642238e-19 3.6550134814986247e-19 3.697310944287744e-19 3.7337284188785285e-19 3.764858710620672e-19 3.7911664507342084e-19 3.813052183374336e-19 3.83088440916384e-19 3.8449675416606727e-19 3.855541907357952e-19 3.8628798762812167e-19 3.867141666092544e-19 3.8684714726878082e-19 3.867830602039488e-19 3.8656997071338245e-19 3.8617423308804484e-19 3.855541907357952e-19 3.846569718281472e-19 3.834120805937856e-19 3.817313973185664e-19 3.794931565793088e-19 3.7653553853731207e-19 3.726310341124224e-19 3.674527992739968e-19 3.6052498756565765e-19 3.5111059774183685e-19 3.3803202998624643e-19 3.192705417566784e-19 2.907437870233344e-19 2.45301251527584e-19 1.6361267433947522e-19 ] } }