{ "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" [ 7.7935 7.271307 6.947673 6.712536 6.527746 6.375501 6.246034 6.13341 6.033745 5.944363 5.863339 5.789243 5.720983 5.657706 5.598734 5.543518 5.491608 5.442631 5.396273 5.352268 5.310389 5.270439 5.232249 5.19567 5.170768 5.14456 5.1169 5.08762 5.056516 5.023348 4.98782 4.949572 4.908151 4.862985 4.813327 4.758184 4.696193 4.625408 4.542915 4.444059 4.320699 4.15654 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.7935e-10 7.271307000000001e-10 6.947673e-10 6.712536e-10 6.527746e-10 6.375501e-10 6.246034e-10 6.13341e-10 6.033744999999999e-10 5.944363e-10 5.863339e-10 5.789243e-10 5.720983000000001e-10 5.657706e-10 5.598734000000001e-10 5.543518e-10 5.491608e-10 5.442631000000001e-10 5.396273e-10 5.352267999999999e-10 5.310389e-10 5.270439e-10 5.232249000000001e-10 5.19567e-10 5.170768e-10 5.144560000000001e-10 5.1169e-10 5.08762e-10 5.056516e-10 5.023348e-10 4.98782e-10 4.949572000000001e-10 4.908151000000001e-10 4.862985e-10 4.813327000000001e-10 4.758184e-10 4.696193000000001e-10 4.6254080000000004e-10 4.542915e-10 4.4440590000000006e-10 4.3206990000000006e-10 4.15654e-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" [ 0.495196 0.672864 0.822549 0.970259 1.12296 1.27731 1.42773 1.56981 1.70091 1.81986 1.92644 2.021 2.10418 2.17674 2.23947 2.29314 2.33849 2.37616 2.40676 2.43084 2.44887 2.46129 2.46849 2.47082 2.4697 2.46605 2.45931 2.44928 2.45627 2.45565 2.43456 2.39841 2.35003 2.28629 2.20204 2.08969 1.93764 1.72736 1.42721 0.97873 0.265306 -1.01178 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.933914539136768e-20 1.0780469697779713e-19 1.3178687772624192e-19 1.5545262859207874e-19 1.799180258093568e-19 2.0464762195140481e-19 2.2874756268147843e-19 2.515112881098048e-19 2.725158236084928e-19 2.9157371451290884e-19 3.086497129373952e-19 3.2379989506368e-19 3.3712680019549443e-19 3.4875219375601924e-19 3.5880264769829758e-19 3.6740152962213125e-19 3.7466740059745926e-19 3.8070279992801283e-19 3.856054603876608e-19 3.894635016905472e-19 3.923522261378496e-19 3.943421295008832e-19 3.954956966678592e-19 3.9586900382050557e-19 3.95689560038976e-19 3.9510476557238406e-19 3.940248985299648e-19 3.924179153793024e-19 3.935378368372416e-19 3.93438501886752e-19 3.900595113934848e-19 3.8426764290929286e-19 3.765163124178624e-19 3.6630403863688325e-19 3.5280570060664326e-19 3.3480524627195524e-19 3.104441507526912e-19 2.767535807705088e-19 2.2866424949719685e-19 1.5680983240755842e-19 4.250670705579648e-20 -1.6210502613930238e-19 ] } }