{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.90901 5.513084 5.267706 5.089425 4.949318 4.833885 4.735724 4.650332 4.574767 4.506998 4.445566 4.389386 4.337631 4.289655 4.244942 4.203078 4.16372 4.126586 4.091437 4.058072 4.02632 3.99603 3.967074 3.93934 3.920459 3.900588 3.879617 3.857416 3.833834 3.808685 3.781748 3.752748 3.721343 3.687098 3.649447 3.607638 3.560636 3.506967 3.44442 3.369467 3.275935 3.15147 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.90901e-10 5.513084e-10 5.267706e-10 5.089425000000001e-10 4.949318e-10 4.833885000000001e-10 4.735724000000001e-10 4.650332e-10 4.574767e-10 4.5069980000000004e-10 4.4455660000000007e-10 4.389386e-10 4.337631e-10 4.289655e-10 4.244942e-10 4.203078e-10 4.16372e-10 4.1265859999999997e-10 4.0914370000000004e-10 4.058072e-10 4.02632e-10 3.99603e-10 3.967074e-10 3.9393400000000004e-10 3.9204590000000004e-10 3.9005880000000003e-10 3.8796170000000005e-10 3.8574160000000005e-10 3.833834e-10 3.8086850000000004e-10 3.781748e-10 3.752748e-10 3.721343e-10 3.6870980000000005e-10 3.649447e-10 3.607638e-10 3.560636e-10 3.506967e-10 3.44442e-10 3.3694670000000004e-10 3.2759350000000003e-10 3.15147e-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00013294 0.0848878 0.630539 1.65063 2.78532 3.62502 3.91977 3.78406 3.37385 2.7098 1.84061 0.831903 -0.246372 -1.32927 -2.36263 -3.30499 -4.12934 -4.82912 -5.43687 -6.05786 -6.77739 -7.63571 -8.69763 -10.0822 -12.0432 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1299335996915204e-23 1.3600524855114623e-20 1.0102348443026112e-19 2.6446007955911045e-19 4.462574585446656e-19 5.807922293932416e-19 6.280163852913217e-19 6.062732463704449e-19 5.40550359208608e-19 4.34157820704384e-19 2.948982310010688e-19 1.3328555373733823e-19 -3.9473145841973764e-20 -2.1297253167308162e-19 -3.785350549600704e-19 -5.295177709977793e-19 -6.615932007334273e-19 -7.737103163037696e-19 -8.710826004328896e-19 -9.705761664079489e-19 -1.0858575808043711e-18 -1.223375604520877e-18 -1.3935139442368706e-18 -1.615346512622976e-18 -1.929533347961856e-18 ] } }