{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 8.91288 8.315684 7.945566 7.676655 7.465324 7.291211 7.14315 7.014348 6.900369 6.798149 6.705488 6.620749 6.542684 6.470319 6.402876 6.33973 6.280364 6.224353 6.171336 6.121011 6.073116 6.027428 5.983753 5.94192 5.899629 5.856048 5.811095 5.764682 5.716711 5.667073 5.615647 5.562302 5.506887 5.449236 5.389161 5.326448 5.260855 5.192106 5.11988 5.043808 4.963457 4.878316 4.787778 4.691112 4.587428 4.475627 4.354328 4.221768 4.075639 3.912844 3.729084 3.518152 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.91288e-10 8.315684e-10 7.945566e-10 7.676655e-10 7.465324e-10 7.291211e-10 7.14315e-10 7.014348e-10 6.900369000000001e-10 6.798149000000001e-10 6.705488000000001e-10 6.620749e-10 6.542684000000001e-10 6.470319e-10 6.402876e-10 6.339730000000001e-10 6.280364e-10 6.224353e-10 6.171336e-10 6.121011e-10 6.073116e-10 6.027428e-10 5.983753e-10 5.94192e-10 5.899629e-10 5.856048000000001e-10 5.811095e-10 5.764682e-10 5.716711e-10 5.667073000000001e-10 5.615647e-10 5.562302e-10 5.506887e-10 5.449236e-10 5.389161e-10 5.326448e-10 5.260855e-10 5.192106e-10 5.11988e-10 5.043808e-10 4.963457e-10 4.878316000000001e-10 4.787778000000001e-10 4.691112e-10 4.587428e-10 4.4756270000000004e-10 4.354328e-10 4.221768e-10 4.075639e-10 3.912844e-10 3.729084e-10 3.5181520000000005e-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" [ 0.401274 0.579449 0.722368 0.845948 0.959236 1.06826 1.17374 1.2722 1.36034 1.43726 1.50381 1.56139 1.61137 1.65492 1.69296 1.72621 1.75519 1.78024 1.80151 1.81904 1.83279 1.84268 1.84863 1.85061 1.84843 1.84124 1.82804 1.80765 1.77874 1.73973 1.68876 1.62367 1.54197 1.44076 1.31676 1.1662 0.984867 0.766397 0.50167 0.179226 -0.216564 -0.707113 -1.32169 -2.1008 -3.10215 -4.41019 -6.14949 -8.50783 -11.789 -16.5304 -23.7228 -35.2986 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.42911826631716e-20 9.28379648394666e-20 1.157361130749312e-19 1.355358119179032e-19 1.5368655056916238e-19 1.7115412110368398e-19 1.8805388023911598e-19 2.0382891137747999e-19 2.17950496229556e-19 2.3027443889828398e-19 2.40936924397554e-19 2.50162257456126e-19 2.5816993627285795e-19 2.6514741551392796e-19 2.71242095429664e-19 2.76569332737714e-19 2.81212440623046e-19 2.8522589309121596e-19 2.8863372279173396e-19 2.91442338431136e-19 2.9364533130288597e-19 2.95229883993912e-19 2.96183179091142e-19 2.96500410064674e-19 2.9615113555846198e-19 2.9499917055861597e-19 2.92884297401736e-19 2.8961745924500997e-19 2.84985566596116e-19 2.7873547554688197e-19 2.7056918124338397e-19 2.6014061353267797e-19 2.47050830432898e-19 2.30835200720184e-19 2.1096821045858399e-19 1.8684583905707998e-19 1.577930894997678e-19 1.2279033657676978e-19 8.037639519787799e-20 2.8715170940528395e-20 -3.46973780565576e-20 -1.132919926197642e-19 -2.11758083539146e-19 -3.3658526727072e-19 -4.9701922451631e-19 -7.06590336950046e-19 -9.85256918901666e-19 -1.363104643204422e-18 -1.8888060338225997e-18 -2.64846206306736e-18 -3.80081158530552e-18 -5.65545921329124e-18 ] } }