{ "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.73 11.877038 11.348406 10.964326 10.662486 10.413805 10.202331 10.018367 9.855572 9.709574 9.577228 9.456197 9.344699 9.241341 9.145014 9.054823 8.970033 8.890033 8.81431 8.742431 8.674024 8.60877 8.546389 8.48664 8.426237 8.363992 8.299787 8.233497 8.164981 8.094085 8.020636 7.944445 7.865298 7.782957 7.697153 7.607582 7.513898 7.415706 7.312549 7.203898 7.089135 6.967531 6.838218 6.700154 6.552065 6.392384 6.219137 6.029806 5.821096 5.58858 5.326123 5.024856 4.671277 4.24332 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.273e-09 1.1877038000000001e-09 1.1348406000000002e-09 1.0964326000000001e-09 1.0662486e-09 1.0413805000000001e-09 1.0202330999999999e-09 1.0018367e-09 9.855572e-10 9.709574000000001e-10 9.577228e-10 9.456197e-10 9.344699000000002e-10 9.241341000000001e-10 9.145014e-10 9.054823000000001e-10 8.970033000000001e-10 8.890033000000002e-10 8.814310000000001e-10 8.742431e-10 8.674024e-10 8.60877e-10 8.546389e-10 8.48664e-10 8.426237000000001e-10 8.363992e-10 8.299787000000001e-10 8.233497000000001e-10 8.164980999999999e-10 8.094085e-10 8.020636e-10 7.944445e-10 7.865298e-10 7.782957e-10 7.697153000000001e-10 7.607582e-10 7.513898000000001e-10 7.415706e-10 7.312549e-10 7.203898e-10 7.089135e-10 6.967531000000001e-10 6.838218000000001e-10 6.700154000000001e-10 6.552065e-10 6.392384e-10 6.219137e-10 6.029806e-10 5.821096e-10 5.588580000000001e-10 5.326123e-10 5.024856e-10 4.671277e-10 4.24332e-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" [ 0.00519545 0.00778884 0.0100705 0.0121563 0.014111 0.0159395 0.0176658 0.0192896 0.0208149 0.0222447 0.0235807 0.0248273 0.0259821 0.0270433 0.0280102 0.0288877 0.0296696 0.030353 0.030936 0.0314167 0.0317932 0.0320633 0.0322249 0.0322803 0.0322169 0.0320049 0.0316052 0.0309681 0.0300335 0.0287171 0.0269139 0.0244866 0.0212551 0.0169804 0.0113436 0.00390628 -0.00592629 -0.0189899 -0.036476 -0.0600955 -0.0923526 -0.137063 -0.200114 -0.290906 -0.424943 -0.628874 -0.950737 -1.48228 -2.41132 -4.15737 -7.76705 -16.2641 -40.3484 -131.132 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.3240285931152995e-22 1.247909745396456e-21 1.6134719792696999e-21 1.94765398158942e-21 2.2608314482374e-21 2.5537894457642995e-21 2.8303731980917195e-21 3.09053463992064e-21 3.33491464190466e-21 3.56399385703398e-21 3.7780446553363795e-21 3.97777199453082e-21 4.1627913522251395e-21 4.332814336625219e-21 4.487728795366679e-21 4.628319795000179e-21 4.75359398601264e-21 4.8630867371802e-21 4.9564936349424e-21 5.033510265738779e-21 5.09383221600888e-21 5.13710700689322e-21 5.1629981812986596e-21 5.1718742398510196e-21 5.16171643999146e-21 5.12775029535066e-21 5.0637112952896795e-21 4.9616366219375395e-21 4.8118971937238995e-21 4.6009866616241396e-21 4.31208217098126e-21 3.9231858366104396e-21 3.40544245733334e-21 2.7205600115973598e-21 1.81744508654424e-21 6.258550541861519e-22 -9.494963364307859e-22 -3.0425174061996597e-21 -5.8440994901784e-21 -9.6283605908547e-21 -1.479651778091484e-20 -2.1959913598594197e-20 -3.2061797493627596e-20 -4.6608279589040396e-20 -6.80833745381862e-20 -1.0075672285301161e-19 -1.523248606479258e-19 -2.3748743810455197e-19 -3.8633605610968797e-19 -6.66084107289258e-19 -1.24441860251097e-18 -2.6057960993039397e-18 -6.4645263699285594e-18 -2.1009662636968798e-17 ] } }