{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.5892 8.013691 7.657014 7.397869 7.194212 7.026422 6.883737 6.759613 6.649773 6.551265 6.461969 6.380307 6.305078 6.23534 6.170347 6.109493 6.052284 5.998306 5.947215 5.898717 5.852562 5.808533 5.766444 5.72613 5.685375 5.643376 5.600057 5.555329 5.5091 5.461265 5.411707 5.360299 5.306897 5.25134 5.193446 5.13301 5.0698 5.003548 4.933945 4.860636 4.783203 4.701154 4.613904 4.520749 4.420831 4.31309 4.196197 4.068451 3.927629 3.770746 3.593661 3.390389 3.151822 2.86307 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.589200000000001e-10 8.013691e-10 7.657014000000001e-10 7.397869e-10 7.194212000000001e-10 7.026422e-10 6.883737e-10 6.759613e-10 6.649773e-10 6.551265e-10 6.461969e-10 6.380307e-10 6.305078e-10 6.23534e-10 6.170346999999999e-10 6.109493e-10 6.052284e-10 5.998306000000001e-10 5.947215000000001e-10 5.898717000000001e-10 5.852562e-10 5.808533e-10 5.766444e-10 5.726130000000001e-10 5.685375e-10 5.643376e-10 5.600057e-10 5.555329e-10 5.5091e-10 5.461265e-10 5.411707e-10 5.360299e-10 5.306897000000001e-10 5.251340000000001e-10 5.193446e-10 5.13301e-10 5.0698e-10 5.003548e-10 4.933945e-10 4.860636000000001e-10 4.783203000000001e-10 4.701154e-10 4.613904e-10 4.5207490000000003e-10 4.420831e-10 4.31309e-10 4.196197e-10 4.068451e-10 3.9276290000000004e-10 3.770746e-10 3.593661e-10 3.390389e-10 3.151822e-10 2.86307e-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" [ 2.08063e-05 0.456767 0.909472 1.25635 1.52436 1.73354 1.89979 2.03419 2.1442 2.23503 2.31048 2.37343 2.42606 2.47008 2.50681 2.53733 2.56244 2.5828 2.59899 2.61145 2.6206 2.62679 2.63032 2.63144 2.63021 2.62611 2.61849 2.60657 2.58947 2.56612 2.53528 2.49551 2.44508 2.38194 2.30449 2.21222 2.10467 1.98134 1.84159 1.68452 1.50736 1.30327 1.06969 0.793506 0.445486 -0.00581855 -0.595101 -1.3709 -2.41073 -3.84623 -5.99033 -9.34728 -15.0721 -26.029 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.33353676999942e-24 7.31821414582278e-20 1.457134787677248e-19 2.0128946141259e-19 2.44229397380424e-19 2.77743728210436e-19 3.04379914750686e-19 3.25913168711646e-19 3.4353871386228e-19 3.5809128422890197e-19 3.70179706932432e-19 3.80265408843462e-19 3.88697664468204e-19 3.9575044601107194e-19 4.01635240787754e-19 4.0652508387472193e-19 4.10548149402696e-19 4.1381018102952e-19 4.16404104999966e-19 4.1840041708592996e-19 4.1986640870604e-19 4.20858156042486e-19 4.21423724394288e-19 4.2160316817729597e-19 4.2140610045131396e-19 4.20749208031374e-19 4.1952834943626598e-19 4.17618554888538e-19 4.14878832844398e-19 4.11137750404008e-19 4.06196637664752e-19 3.99824781191334e-19 3.9174500442607194e-19 3.81628861158996e-19 3.6922000312866596e-19 3.5443671932674794e-19 3.37205309628078e-19 3.17445665200956e-19 2.95055246740806e-19 2.69889858350568e-19 2.41505697102624e-19 2.0880687417931798e-19 1.71383232362346e-19 1.271336772138804e-19 7.137472599741239e-20 -9.322344853760698e-22 -9.534569170700339e-20 -2.1964239475506e-19 -3.86241527688282e-19 -6.162339834989819e-19 -9.59756675594922e-19 -1.4975993607455519e-18 -2.41481664453114e-18 -4.1703055606386e-18 ] } }