{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.18126 5.767093 5.510408 5.323914 5.177351 5.0566 4.953917 4.86459 4.785543 4.714652 4.650389 4.591621 4.537482 4.487295 4.440522 4.396729 4.355558 4.316713 4.279945 4.245043 4.211827 4.180142 4.149852 4.12084 4.101089 4.080303 4.058365 4.035142 4.010472 3.984165 3.955987 3.925651 3.892799 3.856976 3.817591 3.773855 3.724688 3.668546 3.603118 3.524711 3.42687 3.29667 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.18126e-10 5.767093000000001e-10 5.510408e-10 5.323914000000001e-10 5.177351e-10 5.056600000000001e-10 4.953917e-10 4.86459e-10 4.785543e-10 4.714652e-10 4.650389e-10 4.591621e-10 4.537482e-10 4.4872949999999995e-10 4.4405219999999996e-10 4.396729e-10 4.3555580000000005e-10 4.316713e-10 4.2799449999999997e-10 4.245043e-10 4.2118270000000007e-10 4.1801420000000003e-10 4.149852e-10 4.12084e-10 4.101089e-10 4.080303e-10 4.0583650000000004e-10 4.035142e-10 4.010472e-10 3.9841650000000003e-10 3.955987e-10 3.925651e-10 3.8927990000000004e-10 3.8569760000000003e-10 3.8175910000000006e-10 3.7738550000000004e-10 3.7246880000000004e-10 3.668546e-10 3.6031179999999997e-10 3.524711e-10 3.42687e-10 3.2966700000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0.377202 1.23405 2.10386 2.81902 3.35691 3.74061 4.0012 4.16604 4.27126 4.36165 4.44022 4.5081 4.56625 4.6155 4.65656 4.69004 4.71649 4.73638 4.75013 4.75814 4.76074 4.75949 4.75538 4.7478 4.73594 4.71879 4.69506 4.66303 4.62042 4.56412 4.48924 4.38735 4.24717 4.0511 3.77037 3.35561 2.71731 1.68123 -0.130004 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 6.043442306980679e-20 1.9771660751877e-19 3.37075533320724e-19 4.51656797477868e-19 5.37836276444094e-19 5.99311793890674e-19 6.410629147960799e-19 6.67473194430936e-19 6.843312969738839e-19 6.988133715686099e-19 7.11401673381948e-19 7.222772483735399e-19 7.3159390550025e-19 7.394846254226999e-19 7.46063162681904e-19 7.514272500525359e-19 7.55665007249466e-19 7.588517365744919e-19 7.61054729446242e-19 7.623380729300759e-19 7.627546388549159e-19 7.62554366775666e-19 7.618958721790919e-19 7.606814222905199e-19 7.587812408025959e-19 7.56033507875286e-19 7.52231542722804e-19 7.47099770964102e-19 7.40272896326628e-19 7.312526418772079e-19 7.192555432418159e-19 7.029309655179899e-19 6.804716534625779e-19 6.4905777619974e-19 6.04079871553458e-19 5.37627993481674e-19 4.35361058933454e-19 2.6936274223798196e-19 -2.08289371126536e-20 ] } }