{ "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 5.92518 5.528171 5.282121 5.103352 4.962862 4.847113 4.748684 4.663058 4.587286 4.519331 4.457731 4.401398 4.349501 4.301393 4.256558 4.214579 4.175114 4.137878 4.102633 4.069177 4.037338 4.006965 3.97793 3.95012 3.922005 3.893033 3.863149 3.832294 3.800404 3.767405 3.733218 3.697754 3.660915 3.622589 3.582652 3.540961 3.497356 3.451652 3.403637 3.353066 3.299649 3.243048 3.182859 3.118597 3.049669 2.975345 2.894707 2.806583 2.709438 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.92518e-10 5.528171000000001e-10 5.282121e-10 5.103352e-10 4.962862000000001e-10 4.847113000000001e-10 4.748684e-10 4.663058e-10 4.587286e-10 4.519331e-10 4.457731e-10 4.4013980000000003e-10 4.349501e-10 4.301393e-10 4.256558e-10 4.2145789999999996e-10 4.1751139999999997e-10 4.137878e-10 4.102633e-10 4.069177e-10 4.0373380000000003e-10 4.0069650000000004e-10 3.9779300000000006e-10 3.9501200000000003e-10 3.922005e-10 3.893033e-10 3.863149e-10 3.8322940000000005e-10 3.800404e-10 3.7674050000000004e-10 3.733218e-10 3.697754e-10 3.6609150000000004e-10 3.622589e-10 3.582652e-10 3.540961e-10 3.497356e-10 3.4516520000000003e-10 3.403637e-10 3.353066e-10 3.2996490000000003e-10 3.243048e-10 3.1828590000000003e-10 3.118597e-10 3.0496690000000003e-10 2.975345e-10 2.894707e-10 2.806583e-10 2.709438e-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" [ 0.135042 0.541263 1.02024 1.47465 1.87615 2.2234 2.52207 2.78101 3.00682 3.19847 3.36702 3.51692 3.65113 3.77228 3.88235 3.983 4.07531 4.15981 4.23643 4.30454 4.34545 4.3751 4.39733 4.41644 4.33786 4.18763 4.02766 3.8495 3.64753 3.41443 3.12016 2.79215 2.42864 2.0294 1.59206 1.10806 0.551222 -0.174749 -1.26737 -2.50474 -3.70136 -4.74631 -5.49993 -6.16334 -6.89213 -7.76746 -8.85147 -10.2252 -12.0126 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1636113700862798e-20 8.67198931448742e-20 1.63460468907216e-19 2.3626497733281e-19 3.0059236918790996e-19 3.5622795280355997e-19 4.0408016233123795e-19 4.45566924092034e-19 4.817456746643879e-19 5.124513898549979e-19 5.39456077021068e-19 5.63472704764728e-19 5.84975517369642e-19 6.043858872905519e-19 6.2202104550099e-19 6.381469533221999e-19 6.52936645830654e-19 6.66475038387954e-19 6.78750915757662e-19 6.89663340811836e-19 6.962178454215299e-19 7.009682991413399e-19 7.0452993779872195e-19 7.07591697346296e-19 6.95001793356324e-19 6.709322937837421e-19 6.45302274169644e-19 6.167578952582999e-19 5.84398733781402e-19 5.47051996442862e-19 4.99904744634144e-19 4.473517488623099e-19 3.89111026039776e-19 3.2514572610395995e-19 2.55076133192604e-19 1.7753078410700399e-19 8.831550085467479e-20 -2.79978764614866e-20 -2.03055060063258e-19 -4.0130359022451596e-19 -5.93023250602224e-19 -7.60442697972054e-19 -8.811859334635619e-19 -9.87475933539756e-19 -1.104240964449042e-18 -1.2444842917529638e-18 -1.418161841055198e-18 -1.6382576517976797e-18 -1.92463070335884e-18 ] } }