{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 9.54458 8.905057 8.508707 8.220737 7.994427 7.807974 7.649418 7.511488 7.38943 7.279965 7.180736 7.089992 7.006394 6.928899 6.856677 6.789055 6.725482 6.6655 6.608726 6.554834 6.503545 6.454619 6.407848 6.36305 6.332553 6.300456 6.266582 6.230722 6.19263 6.152009 6.108499 6.061656 6.010929 5.955615 5.894799 5.827267 5.751347 5.664657 5.563629 5.442561 5.291483 5.09044 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.54458e-10 8.905056999999999e-10 8.508707e-10 8.220737e-10 7.994427e-10 7.807974e-10 7.649418e-10 7.511488000000001e-10 7.389430000000001e-10 7.279965e-10 7.180736e-10 7.089992e-10 7.006394000000001e-10 6.928899e-10 6.856677000000001e-10 6.789055000000001e-10 6.725482000000001e-10 6.6655e-10 6.608726e-10 6.554833999999999e-10 6.503545e-10 6.454619e-10 6.407848000000001e-10 6.36305e-10 6.332553e-10 6.300456e-10 6.266582e-10 6.230722000000001e-10 6.19263e-10 6.152009e-10 6.108499e-10 6.061656e-10 6.010929e-10 5.955615e-10 5.894799e-10 5.827267e-10 5.751347e-10 5.664657e-10 5.563629e-10 5.442561e-10 5.291483000000001e-10 5.090440000000001e-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 0 0 0 0.0345853 0.718016 1.64543 2.46831 3.39599 4.07685 4.50744 4.78909 4.97504 5.10766 5.20411 5.27576 5.3293 5.36892 5.39769 5.41803 5.43186 5.4406 5.44533 5.44677 5.44612 5.44401 5.4402 5.43437 5.42605 5.41463 5.39923 5.37864 5.35115 5.31426 5.26481 5.19911 5.11195 4.99551 4.83739 4.61649 4.293 3.77954 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 5.5411759083354245e-21 1.1503884485603328e-19 2.636269477162944e-19 3.954668574886848e-19 5.440975782470592e-19 6.53183375650848e-19 7.221714987658752e-19 7.672968032907072e-19 7.970892775544832e-19 8.183373438995329e-19 8.337903374071489e-19 8.452699328951808e-19 8.53847986522944e-19 8.601958102945537e-19 8.648052724325952e-19 8.680640996793025e-19 8.70279909945869e-19 8.71680212312448e-19 8.724380418540865e-19 8.726687552874816e-19 8.725646138071296e-19 8.722265545401407e-19 8.716161252476161e-19 8.706820562776897e-19 8.69349045329184e-19 8.675193596282304e-19 8.650520076321985e-19 8.617531259699712e-19 8.57348742439392e-19 8.514383128852608e-19 8.4351554949540485e-19 8.329892490967488e-19 8.190246776698561e-19 8.003689330972609e-19 7.750353163691712e-19 7.396432348156992e-19 6.878144233094401e-19 6.055490625378432e-19 ] } }