{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.90186 4.573418 4.369863 4.221969 4.105742 4.009985 3.928555 3.857717 3.795032 3.738813 3.687852 3.641248 3.598315 3.558515 3.521424 3.486695 3.454045 3.423241 3.394083 3.366405 3.340064 3.314937 3.290917 3.26791 3.252247 3.235763 3.218366 3.19995 3.180387 3.159525 3.137179 3.113122 3.08707 3.058662 3.027428 2.992745 2.953755 2.909233 2.857348 2.79517 2.717581 2.61433 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.90186e-10 4.5734180000000005e-10 4.3698629999999997e-10 4.221969e-10 4.1057420000000006e-10 4.0099850000000005e-10 3.928555e-10 3.8577170000000003e-10 3.795032e-10 3.738813e-10 3.687852e-10 3.641248e-10 3.598315e-10 3.558515e-10 3.5214240000000003e-10 3.4866950000000004e-10 3.454045e-10 3.4232410000000003e-10 3.3940830000000005e-10 3.366405e-10 3.340064e-10 3.314937e-10 3.290917e-10 3.26791e-10 3.2522470000000004e-10 3.235763e-10 3.218366e-10 3.19995e-10 3.180387e-10 3.159525e-10 3.1371790000000003e-10 3.113122e-10 3.0870700000000004e-10 3.0586620000000003e-10 3.027428e-10 2.9927450000000003e-10 2.9537550000000003e-10 2.909233e-10 2.8573480000000004e-10 2.79517e-10 2.717581e-10 2.6143299999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 7.3613e-10 0.000511877 0.016559 0.0828621 0.210587 0.386883 0.592519 0.810456 1.02803 1.23667 1.43123 1.60968 1.77217 1.91933 2.05114 2.16673 2.26464 2.34319 2.40077 2.43602 2.44793 2.44193 2.42181 2.38372 2.32283 2.23294 2.10607 1.93185 1.69666 1.38234 0.964264 0.40833 -0.333758 -1.33268 -2.69595 -4.59536 -7.32506 -11.4386 -18.1421 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.179410275869504e-28 8.201173621252416e-23 2.65304426638272e-21 1.3275971937039168e-20 3.373975680444096e-20 6.198548975849664e-20 9.493200891797953e-20 1.2984936553870847e-19 1.647085631481024e-19 1.981363761644736e-19 2.2930832449875843e-19 2.5789916629693443e-19 2.8393293420831363e-19 3.075105653600064e-19 3.2862885539877123e-19 3.471484149585984e-19 3.6283532625285124e-19 3.754204236092352e-19 3.846457565918016e-19 3.9029342918012163e-19 3.922016215354944e-19 3.9124031556301444e-19 3.880167362019648e-19 3.819140454533376e-19 3.7215839200928646e-19 3.5775642636491523e-19 3.374296115768256e-19 3.0951649048924805e-19 2.7183489854465283e-19 2.214752829996672e-19 1.5449212370790912e-19 6.542167795712641e-20 -5.3473926460496645e-20 -2.1351887390077442e-19 -4.31938806084576e-19 -7.362578356159489e-19 -1.1736039877957248e-18 -1.832665749468288e-18 -2.9066848472215682e-18 ] } }