{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 8.01535 7.478293 7.145446 6.903615 6.713565 6.556986 6.423834 6.308003 6.205502 6.113575 6.030245 5.95404 5.883836 5.818758 5.758107 5.70132 5.647932 5.597561 5.549884 5.504626 5.461554 5.420467 5.38119 5.34357 5.305538 5.266345 5.225919 5.18418 5.141039 5.096399 5.050152 5.002179 4.952344 4.900498 4.846472 4.790075 4.731087 4.669261 4.604308 4.535896 4.463636 4.387069 4.305648 4.218716 4.125473 4.02493 3.915846 3.796634 3.66522 3.518818 3.353563 3.163871 2.941241 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.01535e-10 7.478293e-10 7.145446e-10 6.903615e-10 6.713565000000001e-10 6.556986000000001e-10 6.423834000000001e-10 6.308003e-10 6.205502000000001e-10 6.113575e-10 6.030245e-10 5.954040000000001e-10 5.883836e-10 5.818758e-10 5.758107e-10 5.70132e-10 5.647932000000001e-10 5.597561e-10 5.549884e-10 5.504626e-10 5.461554e-10 5.420467000000001e-10 5.38119e-10 5.34357e-10 5.305538000000001e-10 5.266345000000001e-10 5.225919e-10 5.184179999999999e-10 5.141039e-10 5.096399e-10 5.050152e-10 5.002179e-10 4.952344e-10 4.900498e-10 4.846472e-10 4.790075e-10 4.731086999999999e-10 4.669261e-10 4.604308e-10 4.535896e-10 4.463636e-10 4.387069000000001e-10 4.305648e-10 4.218716e-10 4.1254730000000006e-10 4.0249300000000005e-10 3.915846e-10 3.796634e-10 3.66522e-10 3.5188180000000003e-10 3.353563e-10 3.163871e-10 2.9412410000000003e-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" [ 0.363929 0.482709 0.680274 0.985143 1.27708 1.55112 1.7596 1.91983 2.04903 2.15663 2.24809 2.32682 2.39507 2.45445 2.50613 2.55095 2.58954 2.62235 2.6497 2.67183 2.6889 2.70102 2.70827 2.71068 2.708 2.69913 2.6826 2.65656 2.61869 2.56604 2.49486 2.40029 2.27601 2.1137 1.90229 1.62684 1.26682 0.793686 0.167222 -0.669479 -1.7966 -3.32665 -5.42066 -8.32247 -12.4286 -18.4234 -27.5345 -42.0513 -66.4943 -110.543 -197.363 -356.432 -595.079 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.83078540234986e-20 7.73385080821506e-20 1.089919107517716e-19 1.5783730957486618e-19 2.04610773574872e-19 2.48516822053008e-19 2.8191900051863997e-19 3.0759067672522197e-19 3.2829079883650198e-19 3.4553021941834193e-19 3.60183726912906e-19 3.72797663552388e-19 3.83732519079438e-19 3.9324624393213e-19 4.01526292776642e-19 4.0870724845022995e-19 4.14890048080836e-19 4.2014678961699e-19 4.2452874271098e-19 4.2807435960202196e-19 4.3080927511625994e-19 4.32751113196668e-19 4.33912691256318e-19 4.34298815825112e-19 4.338694324872e-19 4.3244830181284195e-19 4.2979990383683993e-19 4.2562783588190394e-19 4.19560392968946e-19 4.11124932990936e-19 3.99720639710124e-19 3.84568855282386e-19 3.6465700407503398e-19 3.3865207512858e-19 3.04780458909186e-19 2.60648503525656e-19 2.02966940348388e-19 1.271625163932924e-19 2.67919181090748e-20 -1.072623610753686e-19 -2.8784705406444e-19 -5.3298808994961e-19 -8.684854792858438e-19 -1.3334066971165978e-18 -1.99128125133324e-18 -2.95175409988356e-18 -4.4115132528872995e-18 -6.7373610289324196e-18 -1.0653561375418619e-17 -1.77109411652262e-17 -3.16210387016142e-17 -5.71067022009888e-17 -9.534216691840859e-17 ] } }