{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.8081 4.48594 4.286277 4.141212 4.027208 3.933282 3.85341 3.783927 3.72244 3.667297 3.617311 3.571598 3.529485 3.490447 3.454065 3.420001 3.387976 3.35776 3.32916 3.302011 3.276174 3.251528 3.227967 3.2054 3.182586 3.159076 3.134826 3.109788 3.08391 3.057132 3.029391 3.000613 2.970719 2.939619 2.907211 2.87338 2.837996 2.800909 2.761946 2.720909 2.677563 2.631633 2.582792 2.530645 2.474712 2.4144 2.348965 2.277455 2.198625 2.110804 2.011674 1.897886 1.764339 1.6027 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.8081e-10 4.4859400000000003e-10 4.2862770000000004e-10 4.1412120000000003e-10 4.0272080000000003e-10 3.933282e-10 3.85341e-10 3.783927e-10 3.7224400000000003e-10 3.667297e-10 3.617311e-10 3.5715979999999997e-10 3.5294850000000005e-10 3.490447e-10 3.454065e-10 3.4200010000000004e-10 3.387976e-10 3.35776e-10 3.32916e-10 3.302011e-10 3.276174e-10 3.251528e-10 3.227967e-10 3.2054e-10 3.182586e-10 3.159076e-10 3.134826e-10 3.1097880000000003e-10 3.08391e-10 3.057132e-10 3.029391e-10 3.000613e-10 2.9707189999999997e-10 2.939619e-10 2.9072110000000005e-10 2.87338e-10 2.837996e-10 2.800909e-10 2.761946e-10 2.7209089999999996e-10 2.677563e-10 2.631633e-10 2.582792e-10 2.530645e-10 2.474712e-10 2.4144e-10 2.348965e-10 2.2774549999999998e-10 2.198625e-10 2.110804e-10 2.0116740000000001e-10 1.897886e-10 1.764339e-10 1.6027e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.49735 2.02267 2.39876 2.69154 2.92953 3.12812 3.2967 3.44148 3.56678 3.67578 3.77084 3.85382 3.92617 3.98906 4.04343 4.09009 4.12969 4.16279 4.18988 4.21135 4.22757 4.23883 4.24542 4.24757 4.24526 4.23776 4.22412 4.2032 4.17359 4.1336 4.08116 4.0137 3.92802 3.82012 3.68494 3.51601 3.30498 3.04096 2.70952 2.29134 1.76045 1.08372 0.217166 -0.899823 -2.35223 -4.2619 -6.80794 -10.2615 -15.0477 -21.8618 -31.9181 -47.5625 -73.8017 -122.565 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3990191829199e-19 3.24067461229278e-19 3.8432372225738394e-19 4.3123224974763593e-19 4.69362451460202e-19 5.011800772348079e-19 5.2818957093078e-19 5.51385884237832e-19 5.71461157461852e-19 5.88924882772452e-19 6.04155173855256e-19 6.174500355641879e-19 6.29041783511178e-19 6.39117872362404e-19 6.478289067214619e-19 6.55304662895706e-19 6.61649282366346e-19 6.66952487024886e-19 6.712927835263919e-19 6.7473265675959e-19 6.773313872599379e-19 6.79135438149822e-19 6.801912725516279e-19 6.805357405279379e-19 6.80165637725484e-19 6.789640052499839e-19 6.767786363212079e-19 6.734268828028799e-19 6.686828377896059e-19 6.6227573343024e-19 6.538739191615439e-19 6.4306563558858e-19 6.293381861884679e-19 6.120507003076079e-19 5.90392476569196e-19 5.633269066910339e-19 5.295161731837319e-19 4.87215505692864e-19 4.34112963335568e-19 3.6711314085495596e-19 2.8205518553253e-19 1.7363108617984799e-19 3.47938290899244e-20 -1.441675385335782e-19 -3.76868794379382e-19 -6.828316596444599e-19 -1.0907522393673959e-18 -1.6440735529791e-18 -2.41090733354418e-18 -3.50264651371812e-18 -5.11384340216754e-18 -7.620352615462499e-18 -1.182433592894778e-17 -1.9637077914621e-17 ] } }