{ "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" [ 7.933914604502639e-20 1.0780469786597759e-19 1.317868788120066e-19 1.5545262987282059e-19 1.7991802729166398e-19 2.0464762363745397e-19 2.2874756456608196e-19 2.5151129018195396e-19 2.7251582585369395e-19 2.91573716915124e-19 3.0864971548029595e-19 3.2379989773139997e-19 3.3712680297301195e-19 3.48752196629316e-19 3.5880265065439796e-19 3.67401532649076e-19 3.74667403684266e-19 3.8070280306454396e-19 3.8560546356458396e-19 3.8946350489925598e-19 3.9235222937035796e-19 3.94342132749786e-19 3.95495699926266e-19 3.9586900708198796e-19 3.9568956329897997e-19 3.9510476882757e-19 3.9402490177625397e-19 3.9241791861235196e-19 3.9353784007951796e-19 3.9343850512820996e-19 3.9005951460710394e-19 3.84267646075194e-19 3.7651631551990193e-19 3.66304041654786e-19 3.52805703513336e-19 3.3480524903034597e-19 3.10444153310376e-19 2.76753583050624e-19 2.28664251381114e-19 1.56809833699482e-19 4.2506707406000394e-20 -1.6210502747485198e-19 ] } }