{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 7.97044 7.436392 7.10541 6.864934 6.675949 6.520247 6.387841 6.27266 6.170732 6.079321 5.996458 5.920679 5.850869 5.786156 5.725845 5.669375 5.616287 5.566198 5.518788 5.473784 5.430953 5.390097 5.351039 5.31363 5.288162 5.261359 5.233071 5.203126 5.171316 5.137394 5.101059 5.061942 5.019581 4.973389 4.922604 4.866208 4.80281 4.730417 4.64605 4.544949 4.418787 4.2509 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.97044e-10 7.436392e-10 7.10541e-10 6.864934e-10 6.675949000000001e-10 6.520247e-10 6.387841e-10 6.27266e-10 6.170732e-10 6.079321e-10 5.996458e-10 5.920679e-10 5.850869e-10 5.786156000000001e-10 5.725845e-10 5.669374999999999e-10 5.616287e-10 5.566198e-10 5.518788e-10 5.473784e-10 5.430953e-10 5.390097e-10 5.351039e-10 5.31363e-10 5.288162e-10 5.261358999999999e-10 5.233071e-10 5.203126e-10 5.171316e-10 5.137393999999999e-10 5.101059e-10 5.061942000000001e-10 5.019581e-10 4.973389e-10 4.922604e-10 4.866208000000001e-10 4.80281e-10 4.730417e-10 4.64605e-10 4.544949e-10 4.4187870000000003e-10 4.2509e-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" [ 0.58107 0.806905 0.974365 1.10774 1.21792 1.31098 1.3907 1.45963 1.51961 1.57199 1.61781 1.65788 1.69286 1.72328 1.74958 1.77214 1.79127 1.80724 1.82028 1.8306 1.83838 1.84376 1.84691 1.84793 1.84743 1.84581 1.84282 1.83812 1.83133 1.8219 1.80914 1.83573 1.87998 1.87364 1.84615 1.80731 1.75238 1.67337 1.55642 1.37557 1.07609 0.62672 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.309767690482561e-20 1.292804326206624e-19 1.5611048231257922e-19 1.774795129924992e-19 1.9513229500047359e-19 2.100421506336384e-19 2.2281470265465604e-19 2.338585061018304e-19 2.434683614733888e-19 2.518605626131392e-19 2.592017358896448e-19 2.656216576091904e-19 2.712260714287488e-19 2.760998927092224e-19 2.803136172219264e-19 2.8392812767845123e-19 2.8699309155404162e-19 2.8955176761745923e-19 2.916410059309824e-19 2.93294452203648e-19 2.945409456146304e-19 2.9540291663662085e-19 2.9590760227217284e-19 2.9607102428749443e-19 2.959909154564544e-19 2.957313628438848e-19 2.952523120342656e-19 2.944992890224896e-19 2.934114110969664e-19 2.9190055854355203e-19 2.898561811754112e-19 2.9411636881011844e-19 3.012060003571584e-19 3.001902203795712e-19 2.95785836848992e-19 2.8956298285380483e-19 2.807622266757504e-19 2.681034291948096e-19 2.4936597361455362e-19 2.203906094273856e-19 1.724086239876672e-19 1.0041161317877762e-19 ] } }