{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 11.6465 10.866141 10.382505 10.031118 9.754971 9.527456 9.333983 9.165678 9.01674 8.883169 8.762088 8.65136 8.549352 8.454791 8.366664 8.28415 8.206577 8.133386 8.064109 7.998349 7.935765 7.876064 7.818993 7.76433 7.727117 7.687951 7.646617 7.602861 7.55638 7.506813 7.45372 7.396562 7.334664 7.267167 7.192959 7.110554 7.017915 6.912134 6.788857 6.641126 6.456778 6.21146 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.16465e-09 1.0866141e-09 1.0382505e-09 1.0031118e-09 9.754970999999999e-10 9.527456e-10 9.333983e-10 9.165678e-10 9.016740000000001e-10 8.883169e-10 8.762088e-10 8.65136e-10 8.549352000000001e-10 8.454791000000001e-10 8.366664000000001e-10 8.284150000000001e-10 8.206576999999999e-10 8.133386e-10 8.064109000000001e-10 7.998349e-10 7.935765e-10 7.876064e-10 7.818993e-10 7.76433e-10 7.727117e-10 7.687951000000001e-10 7.646617e-10 7.602861e-10 7.55638e-10 7.506813e-10 7.45372e-10 7.396562e-10 7.334664e-10 7.267167e-10 7.192959e-10 7.110554e-10 7.017915000000001e-10 6.912134e-10 6.788857e-10 6.641126e-10 6.456778e-10 6.21146e-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" [ 0.308837 0.372096 0.415258 0.447264 0.472771 0.494238 0.512398 0.527566 0.540558 0.552303 0.562341 0.571205 0.578897 0.58545 0.590983 0.595596 0.599524 0.602742 0.605259 0.607277 0.609069 0.610308 0.611028 0.611262 0.61115 0.61078 0.610165 0.609852 0.60915 0.607959 0.606145 0.604286 0.601501 0.597475 0.591757 0.583782 0.572528 0.556638 0.533086 0.498006 0.44203 0.340201 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.9481142103800956e-20 5.961635118931968e-20 6.653166592001664e-20 7.165959241254913e-20 7.574626431922368e-20 7.918565687109505e-20 8.209520961446784e-20 8.452539111289728e-20 8.660693897864064e-20 8.848869541977025e-20 9.009696031172928e-20 9.15171296684064e-20 9.274952392512576e-20 9.379943026473601e-20 9.468591458902465e-20 9.542499866419969e-20 9.605433364084992e-20 9.656991407742336e-20 9.697318193287872e-20 9.729650117495615e-20 9.758361122540352e-20 9.778212090872064e-20 9.789747762541825e-20 9.793496855834497e-20 9.7917024180192e-20 9.78577436452224e-20 9.77592097830432e-20 9.770906165481215e-20 9.7596588856032e-20 9.740576962049473e-20 9.711513478148162e-20 9.681729014767488e-20 9.637108395878208e-20 9.5726047651248e-20 9.480992305947457e-20 9.353218720438657e-20 9.172909763533826e-20 8.918323898488704e-20 8.540979260757888e-20 7.978935702181248e-20 7.08210131692224e-20 5.450620885727808e-20 ] } }