{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.01842 8.414153 8.039652 7.767557 7.553723 7.377549 7.227734 7.097407 6.982078 6.878648 6.784889 6.699147 6.620158 6.546936 6.478695 6.4148 6.354732 6.298057 6.244413 6.193491 6.14503 6.098801 6.054608 6.01228 5.983464 5.953136 5.921129 5.887247 5.851254 5.812872 5.77176 5.7275 5.679569 5.627304 5.569841 5.506031 5.434296 5.352385 5.256926 5.142531 4.999781 4.80982 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.018420000000001e-10 8.414153000000001e-10 8.039652000000001e-10 7.767557e-10 7.553723e-10 7.377549000000001e-10 7.227734e-10 7.097407e-10 6.982077999999999e-10 6.878648e-10 6.784889e-10 6.699147000000001e-10 6.620158000000001e-10 6.546936e-10 6.478695e-10 6.414799999999999e-10 6.354732000000001e-10 6.298057e-10 6.244413e-10 6.193491e-10 6.14503e-10 6.098801e-10 6.054608e-10 6.01228e-10 5.983464e-10 5.953136e-10 5.921129e-10 5.887247000000001e-10 5.851254e-10 5.812872e-10 5.771759999999999e-10 5.7275e-10 5.679569e-10 5.627304e-10 5.569841e-10 5.506031e-10 5.434296e-10 5.352385e-10 5.256926e-10 5.142531e-10 4.999781e-10 4.80982e-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" [ 0.0731042 0.500525 1.28617 2.07957 2.71103 3.18858 3.55406 3.84159 4.07461 4.26859 4.43349 4.57565 4.69918 4.80675 4.90022 4.9809 5.0498 5.10773 5.15535 5.19325 5.22196 5.24193 5.25362 5.25742 5.25558 5.24952 5.2383 5.22073 5.19531 5.1601 5.11261 5.04953 4.96649 4.85756 4.71458 4.5262 4.2764 3.94256 3.4939 2.8813 1.98289 0.38337 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1712584012228736e-20 8.0192945312592e-20 2.060671504374336e-19 3.331838435317056e-19 4.343548884287425e-19 5.108668329550464e-19 5.694231840920449e-19 6.154905684699072e-19 6.528244880877888e-19 6.839035101780672e-19 7.103234026550592e-19 7.330999454963521e-19 7.528916332930945e-19 7.701262472030401e-19 7.851017920776576e-19 7.980281530542721e-19 8.090671499715841e-19 8.183485591358785e-19 8.259781242041281e-19 8.320503735969601e-19 8.3665022267527685e-19 8.398497693870144e-19 8.417227138567297e-19 8.423315409726336e-19 8.420367404744064e-19 8.410658214422017e-19 8.39268179273664e-19 8.364531549509184e-19 8.323804219808449e-19 8.26739158099008e-19 8.191304213268289e-19 8.090238912028224e-19 7.957194165436993e-19 7.782669066133249e-19 7.553589852891264e-19 7.25177182106496e-19 6.85154810118912e-19 6.316677458101248e-19 5.59784489541312e-19 4.61635149751104e-19 3.176939999618112e-19 6.14226451116096e-20 ] } }