{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm3" } "basis-atom-coordinates" { "source-value" [ [ 0.814865 0.5 0 ] [ 0.5 0 0.814865 ] [ 0 0.814865 0.5 ] [ 0.5 0 0.185135 ] [ 0 0.185135 0.5 ] [ 0.185135 0.5 0 ] [ 0 0.632108 0.13193 ] [ 0 0.367892 0.86807 ] [ 0 0.632108 0.86807 ] [ 0.367892 0.86807 0 ] [ 0.86807 0 0.632108 ] [ 0.86807 0 0.367892 ] [ 0.632108 0.13193 0 ] [ 0.13193 0 0.632108 ] [ 0.632108 0.86807 0 ] [ 0.367892 0.13193 0 ] [ 0.13193 0 0.367892 ] [ 0 0.367892 0.13193 ] [ 0 0.923818 0.193433 ] [ 0 0.076182 0.806567 ] [ 0 0.923818 0.806567 ] [ 0.076182 0.806567 0 ] [ 0.806567 0 0.923818 ] [ 0.806567 0 0.076182 ] [ 0.923818 0.193433 0 ] [ 0.193433 0 0.923818 ] [ 0.923818 0.806567 0 ] [ 0.076182 0.193433 0 ] [ 0.193433 0 0.076182 ] [ 0 0.076182 0.193433 ] [ 0.5 0.691864 0.074598 ] [ 0.5 0.308136 0.925402 ] [ 0.5 0.691864 0.925402 ] [ 0.308136 0.925402 0.5 ] [ 0.925402 0.5 0.691864 ] [ 0.925402 0.5 0.308136 ] [ 0.691864 0.074598 0.5 ] [ 0.074598 0.5 0.691864 ] [ 0.691864 0.925402 0.5 ] [ 0.308136 0.074598 0.5 ] [ 0.074598 0.5 0.308136 ] [ 0.5 0.308136 0.074598 ] [ 0.206139 0.216846 0.598118 ] [ 0.206139 0.783154 0.401882 ] [ 0.793861 0.216846 0.401882 ] [ 0.783154 0.401882 0.206139 ] [ 0.401882 0.793861 0.216846 ] [ 0.401882 0.206139 0.783154 ] [ 0.216846 0.598118 0.206139 ] [ 0.598118 0.206139 0.216846 ] [ 0.216846 0.401882 0.793861 ] [ 0.783154 0.598118 0.793861 ] [ 0.598118 0.793861 0.783154 ] [ 0.793861 0.783154 0.598118 ] [ 0.793861 0.783154 0.401882 ] [ 0.793861 0.216846 0.598118 ] [ 0.206139 0.783154 0.598118 ] [ 0.216846 0.598118 0.793861 ] [ 0.598118 0.206139 0.783154 ] [ 0.598118 0.793861 0.216846 ] [ 0.783154 0.401882 0.793861 ] [ 0.401882 0.793861 0.783154 ] [ 0.783154 0.598118 0.206139 ] [ 0.216846 0.401882 0.206139 ] [ 0.401882 0.206139 0.216846 ] [ 0.206139 0.216846 0.401882 ] [ 0.099114 0.221405 0.704586 ] [ 0.099114 0.778595 0.295414 ] [ 0.900886 0.221405 0.295414 ] [ 0.778595 0.295414 0.099114 ] [ 0.295414 0.900886 0.221405 ] [ 0.295414 0.099114 0.778595 ] [ 0.099114 0.221405 0.295414 ] [ 0.295414 0.099114 0.221405 ] [ 0.221405 0.295414 0.099114 ] [ 0.778595 0.704586 0.099114 ] [ 0.295414 0.900886 0.778595 ] [ 0.778595 0.295414 0.900886 ] [ 0.704586 0.900886 0.221405 ] [ 0.704586 0.099114 0.778595 ] [ 0.221405 0.704586 0.900886 ] [ 0.099114 0.778595 0.704586 ] [ 0.900886 0.221405 0.704586 ] [ 0.900886 0.778595 0.295414 ] [ 0.900886 0.778595 0.704586 ] [ 0.704586 0.900886 0.778595 ] [ 0.778595 0.704586 0.900886 ] [ 0.221405 0.295414 0.900886 ] [ 0.704586 0.099114 0.221405 ] [ 0.221405 0.704586 0.099114 ] [ 0.750416 0 0 ] [ 0 0 0.750416 ] [ 0 0.750416 0 ] [ 0 0 0.249584 ] [ 0 0.249584 0 ] [ 0.249584 0 0 ] [ 0.750037 0 0.5 ] [ 0 0.5 0.750037 ] [ 0.5 0.750037 0 ] [ 0 0.5 0.249963 ] [ 0.5 0.249963 0 ] [ 0.249963 0 0.5 ] [ 0.124592 0.176745 0.624528 ] [ 0.124592 0.823255 0.375472 ] [ 0.875408 0.176745 0.375472 ] [ 0.823255 0.375472 0.124592 ] [ 0.375472 0.875408 0.176745 ] [ 0.375472 0.124592 0.823255 ] [ 0.176745 0.624528 0.124592 ] [ 0.624528 0.124592 0.176745 ] [ 0.176745 0.375472 0.875408 ] [ 0.823255 0.624528 0.875408 ] [ 0.624528 0.875408 0.823255 ] [ 0.875408 0.823255 0.624528 ] [ 0.875408 0.823255 0.375472 ] [ 0.875408 0.176745 0.624528 ] [ 0.124592 0.823255 0.624528 ] [ 0.176745 0.624528 0.875408 ] [ 0.624528 0.124592 0.823255 ] [ 0.624528 0.875408 0.176745 ] [ 0.823255 0.375472 0.875408 ] [ 0.375472 0.875408 0.823255 ] [ 0.823255 0.624528 0.124592 ] [ 0.176745 0.375472 0.124592 ] [ 0.375472 0.124592 0.176745 ] [ 0.124592 0.176745 0.375472 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 10.83044645 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.344602473015873 "source-unit" "eV" } }