{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14802 7.602072 7.263715 7.017881 6.824685 6.665513 6.530157 6.412409 6.30821 6.214763 6.130053 6.052586 5.98122 5.915065 5.85341 5.795682 5.741411 5.690206 5.641739 5.595732 5.551948 5.51018 5.470253 5.43201 5.405975 5.378575 5.349657 5.319045 5.286526 5.251849 5.214705 5.174717 5.131412 5.084191 5.032274 4.974623 4.909812 4.835807 4.749561 4.646208 4.517236 4.34561 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.148020000000001e-10 7.602072e-10 7.263715000000001e-10 7.017881e-10 6.824685e-10 6.665513e-10 6.530157000000001e-10 6.412409e-10 6.30821e-10 6.214763e-10 6.130053000000001e-10 6.052586e-10 5.98122e-10 5.915065000000001e-10 5.853410000000001e-10 5.795682e-10 5.741411000000001e-10 5.690206000000001e-10 5.641739e-10 5.595732e-10 5.551948e-10 5.51018e-10 5.470253e-10 5.432010000000001e-10 5.405975e-10 5.378575e-10 5.349656999999999e-10 5.319045e-10 5.286526e-10 5.251849000000001e-10 5.214705e-10 5.174717e-10 5.131412e-10 5.084191e-10 5.032274e-10 4.974623000000001e-10 4.909812e-10 4.835807e-10 4.749561e-10 4.646208e-10 4.517236e-10 4.34561e-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 0 0 0 0.173527 1.06693 2.17404 3.09684 3.67741 3.90852 4.0278 4.13234 4.22373 4.30331 4.37217 4.43125 4.48135 4.52317 4.55732 4.58432 4.60465 4.61873 4.62693 4.6296 4.62831 4.6241 4.6163 4.60411 4.58646 4.56202 4.529 4.48504 4.42689 4.35009 4.24821 4.11182 3.92646 3.6689 3.29949 2.74475 1.85212 0.245073 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 2.7802090476811796e-20 1.7094103161136199e-19 3.48319608938136e-19 4.961684687236559e-19 5.89186037563794e-19 6.26213941752168e-19 6.4532470464252e-19 6.62073859174356e-19 6.767161514324819e-19 6.894662730858539e-19 7.004988613875779e-19 7.099645209412501e-19 7.1799142587759e-19 7.24691728560978e-19 7.301631617660879e-19 7.344890386778879e-19 7.3774626377481e-19 7.40002128475482e-19 7.41315913315362e-19 7.417436944766399e-19 7.41537013690854e-19 7.4086249732794e-19 7.396127995534199e-19 7.37659746236574e-19 7.348319044775639e-19 7.30916184784068e-19 7.256257975386e-19 7.185826290555359e-19 7.09265971928826e-19 6.96961255379706e-19 6.80638279832514e-19 6.587861927213879e-19 6.29088246633564e-19 5.878225852482599e-19 5.28636578211666e-19 4.3975743161715e-19 2.9674233873640796e-19 3.92650234224282e-20 ] } }