{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28331 4.929309 4.709914 4.550511 4.42524 4.322031 4.234264 4.157915 4.090351 4.029758 3.974831 3.9246 3.878326 3.83543 3.795452 3.75802 3.72283 3.689628 3.658201 3.62837 3.599979 3.572897 3.547007 3.52221 3.505329 3.487562 3.468811 3.448961 3.427876 3.40539 3.381306 3.355377 3.327297 3.296678 3.263015 3.225633 3.183608 3.135622 3.079699 3.012683 2.929055 2.81777 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.283310000000001e-10 4.929309000000001e-10 4.709914000000001e-10 4.5505110000000004e-10 4.4252399999999997e-10 4.322031e-10 4.234264e-10 4.1579150000000003e-10 4.090351e-10 4.0297580000000004e-10 3.974831e-10 3.9246e-10 3.878326e-10 3.8354300000000003e-10 3.795452e-10 3.7580200000000005e-10 3.72283e-10 3.689628e-10 3.658201e-10 3.62837e-10 3.599979e-10 3.572897e-10 3.547007e-10 3.52221e-10 3.505329e-10 3.487562e-10 3.4688110000000004e-10 3.448961e-10 3.427876e-10 3.4053900000000004e-10 3.381306e-10 3.355377e-10 3.327297e-10 3.2966780000000003e-10 3.263015e-10 3.2256330000000004e-10 3.183608e-10 3.1356220000000003e-10 3.0796990000000004e-10 3.012683e-10 2.929055e-10 2.81777e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.0916577 0.203778 0.544133 0.868515 1.15607 1.39991 1.60499 1.78055 1.93458 2.07221 2.19623 2.30794 2.40791 2.49643 2.57375 2.64024 2.69549 2.73994 2.77534 2.80294 2.82363 2.83801 2.84646 2.84925 2.84788 2.84331 2.83472 2.821 2.8007 2.77188 2.73192 2.6773 2.60327 2.50336 2.36883 2.18859 1.94906 1.6293 1.19999 0.621422 -0.15773 -1.21128 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.4685182405630016e-20 3.264883474333824e-20 8.717971712057664e-20 1.391514427814112e-19 1.852228326008256e-19 2.242903073224128e-19 2.5714774546177923e-19 2.8527555821654405e-19 3.099538847067264e-19 3.320046415387968e-19 3.518748359899584e-19 3.697727510209152e-19 3.857897106990529e-19 3.9997217814637445e-19 4.1236020777840003e-19 4.230130801300992e-19 4.318651059600192e-19 4.389867810394752e-19 4.446584862771072e-19 4.490804937505152e-19 4.523953971789504e-19 4.546993271596609e-19 4.560531664042369e-19 4.565001736814401e-19 4.562806754843904e-19 4.555484807686848e-19 4.541722110514176e-19 4.5197402472768e-19 4.48721606187456e-19 4.4410413316631045e-19 4.377018353895937e-19 4.28950746686784e-19 4.1708983316300163e-19 4.010824865445888e-19 3.795284044649664e-19 3.506507730516672e-19 3.122738364536448e-19 2.61042636826944e-19 1.922595923193792e-19 9.956278000507777e-20 -2.5271131839878404e-20 -1.940684497242624e-19 ] } }