{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.06503 8.457639 8.081202 7.807701 7.592762 7.415676 7.265087 7.134087 7.018161 6.914196 6.819953 6.733768 6.65437 6.580769 6.512176 6.447951 6.387572 6.330604 6.276683 6.225498 6.176786 6.130318 6.085897 6.04335 6.000337 5.956012 5.910292 5.863087 5.814297 5.763811 5.711508 5.657252 5.600892 5.542257 5.481156 5.417372 5.35066 5.280737 5.207279 5.129909 5.048186 4.961592 4.869508 4.771192 4.665739 4.552029 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.06503e-10 8.457639000000001e-10 8.081202e-10 7.807701e-10 7.592762e-10 7.415676e-10 7.265087e-10 7.134087e-10 7.018161000000001e-10 6.914196e-10 6.819953e-10 6.733768e-10 6.65437e-10 6.580769e-10 6.512176e-10 6.447951e-10 6.387572e-10 6.330604e-10 6.276683e-10 6.225498e-10 6.176786e-10 6.130318000000001e-10 6.085897000000001e-10 6.043350000000001e-10 6.000337e-10 5.956012000000001e-10 5.910292e-10 5.863087e-10 5.814297e-10 5.763811e-10 5.711508000000001e-10 5.657252e-10 5.600892e-10 5.542257e-10 5.481156e-10 5.417372000000001e-10 5.350660000000001e-10 5.280737000000001e-10 5.207279e-10 5.129909e-10 5.048186000000001e-10 4.961592e-10 4.869508e-10 4.771192000000001e-10 4.665739000000001e-10 4.5520290000000003e-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" [ 0.251901 0.477547 0.746796 1.04258 1.32136 1.57198 1.79765 2.01653 2.23278 2.44028 2.63021 2.7915 2.92102 3.02271 3.10208 3.16431 3.21339 3.25128 3.27967 3.30059 3.31574 3.3261 3.33212 3.33407 3.33197 3.32512 3.31258 3.29313 3.26511 3.22589 3.17216 3.10005 3.00512 2.88282 2.72825 2.5348 2.29501 1.99876 1.62921 1.16337 0.574407 -0.176892 -1.15006 -2.42732 -4.11998 -6.37671 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.035898962812339e-20 7.651146450367979e-20 1.196499101564664e-19 1.67039731507572e-19 2.11705211710224e-19 2.51858962511532e-19 2.8801528261101e-19 3.2308372477600194e-19 3.57730794486252e-19 3.9097595964175196e-19 4.2140610045131396e-19 4.472476073811e-19 4.67998999144668e-19 4.842915333358139e-19 4.970080092798719e-19 5.06978354473254e-19 5.14841837392926e-19 5.20912484659152e-19 5.254610641230779e-19 5.28812817641406e-19 5.31240115241916e-19 5.3289997023474e-19 5.33864480568408e-19 5.34176905012038e-19 5.338404479188979e-19 5.32742956924608e-19 5.307338274255719e-19 5.27617593872442e-19 5.231282949439739e-19 5.16844558185426e-19 5.082360631309439e-19 4.9668276742317e-19 4.814733046366079e-19 4.61878684402788e-19 4.3711384017105e-19 4.0611973318632e-19 3.6770113967963396e-19 3.2023665689738397e-19 2.6102821938791397e-19 1.86392423069658e-19 9.203014738060379e-20 -2.83412229141528e-20 -1.84259925969804e-19 -3.8889953872408797e-19 -6.600935688547319e-19 -1.021661576379414e-18 ] } }