{ "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" [ 1.9209136535679596e-19 2.3222749221512997e-19 2.59571840827608e-19 2.80369695713562e-19 2.97057967533306e-19 3.10868730118386e-19 3.22524565130736e-19 3.3248850161758196e-19 3.4107777055245595e-19 3.4852148319402e-19 3.5498947026547795e-19 3.6061471242745195e-19 3.65501351161152e-19 3.6973109747491196e-19 3.73372844963994e-19 3.7648587416385596e-19 3.7911664819688396e-19 3.8130522147892795e-19 3.8308844407256996e-19 3.84496757333856e-19 3.8555419391229595e-19 3.86287990810668e-19 3.8671416979531197e-19 3.8684715045593397e-19 3.8678306339057396e-19 3.86569973898252e-19 3.8617423626965395e-19 3.8555419391229595e-19 3.84656974997256e-19 3.8341208375263795e-19 3.8173140046357197e-19 3.7949315970587396e-19 3.7653554163951e-19 3.72631037182452e-19 3.6745280230136398e-19 3.60524990535948e-19 3.5111060063456403e-19 3.3803203277122197e-19 3.19270544387082e-19 2.90743789418712e-19 2.4530125354857e-19 1.63612675687446e-19 ] } }