{ "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" [ "Sm" "Sm" ] } "a" { "source-value" [ 6.12831 5.717691 5.463205 5.278308 5.133001 5.013284 4.91148 4.822919 4.744549 4.674265 4.610553 4.552289 4.498613 4.448856 4.402484 4.359066 4.318247 4.279735 4.243282 4.208679 4.175748 4.144334 4.114303 4.08554 4.056462 4.026496 3.995588 3.963675 3.930691 3.896561 3.861202 3.824523 3.786421 3.746781 3.705474 3.662354 3.617254 3.569983 3.520323 3.468017 3.412769 3.354228 3.291976 3.22551 3.15422 3.077347 2.993945 2.9028 2.802324 2.69039 2.56404 2.419008 2.248792 2.04277 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.128310000000001e-10 5.717691e-10 5.463205000000001e-10 5.278308e-10 5.133001e-10 5.013284e-10 4.91148e-10 4.822919e-10 4.744549000000001e-10 4.674265e-10 4.6105530000000006e-10 4.552289e-10 4.498613e-10 4.4488560000000005e-10 4.4024840000000006e-10 4.3590660000000005e-10 4.3182470000000006e-10 4.279735e-10 4.243282e-10 4.208679e-10 4.1757479999999997e-10 4.144334e-10 4.114303e-10 4.0855400000000003e-10 4.056462e-10 4.026496e-10 3.9955880000000005e-10 3.963675e-10 3.930691e-10 3.896561e-10 3.861202e-10 3.824523e-10 3.786421e-10 3.746781e-10 3.7054740000000003e-10 3.662354e-10 3.6172540000000003e-10 3.5699830000000003e-10 3.520323e-10 3.468017e-10 3.4127690000000003e-10 3.3542280000000003e-10 3.291976e-10 3.22551e-10 3.15422e-10 3.0773470000000003e-10 2.993945e-10 2.9028e-10 2.802324e-10 2.69039e-10 2.56404e-10 2.419008e-10 2.248792e-10 2.0427700000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.73482 2.34756 2.77394 3.1163 3.41236 3.66606 3.87819 4.04876 4.17975 4.27863 4.35485 4.41565 4.46628 4.51037 4.55021 4.587 4.6211 4.65232 4.6802 4.70414 4.72354 4.73787 4.7467 4.7497 4.74631 4.73498 4.71386 4.68079 4.63352 4.56972 4.48704 4.38324 4.25577 4.10018 3.9127 3.6891 3.42467 3.11589 2.76136 2.36339 1.92704 1.45537 0.94327 0.364296 -0.332919 -1.22264 -2.42928 -4.14796 -6.72362 -10.806 -17.4128 -27.9158 -46.3032 -85.6832 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7794880681958796e-19 3.76120577891304e-19 4.44434185211796e-19 4.9928630445342e-19 5.46720345879624e-19 5.873675670842039e-19 6.213545400212459e-19 6.4868286686738395e-19 6.6966977859615e-19 6.855121011531419e-19 6.977238914574899e-19 7.0746512539221e-19 7.15576945690152e-19 7.226409424694579e-19 7.29024014179314e-19 7.349184220157999e-19 7.4038184433774e-19 7.453838397890879e-19 7.4985070824468e-19 7.536863191064759e-19 7.567945417764359e-19 7.59090460892958e-19 7.605051828607799e-19 7.609858358509799e-19 7.60442697972054e-19 7.586274318457319e-19 7.55243634794724e-19 7.49945236666086e-19 7.423717477171679e-19 7.32149860792248e-19 7.18903064382336e-19 7.022724709214159e-19 6.81849525367818e-19 6.569212591194119e-19 6.2688365158518e-19 5.9105898204894e-19 5.486926253160779e-19 4.99220615211426e-19 4.42418647006224e-19 3.7865682350292593e-19 3.08745846078336e-19 2.33175980782458e-19 1.51128515355318e-19 5.83666539059664e-20 -5.33395042814646e-20 -1.9588852397937597e-19 -3.8921356534435195e-19 -6.64576459076664e-19 -1.077242685989508e-18 -1.7313120707003997e-18 -2.78983812925152e-18 -4.4726042479417196e-18 -7.418590511942879e-18 -1.3727962096634878e-17 ] } }