{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.381331 0.618669 0.900949 ] [ 0.381331 0.900949 0.618669 ] [ 0.599051 0.881331 0.881331 ] [ 0.118669 0.599051 0.118669 ] [ 0.118669 0.118669 0.599051 ] [ 0.618669 0.381331 0.900949 ] [ 0.618669 0.900949 0.381331 ] [ 0.881331 0.881331 0.599051 ] [ 0.881331 0.599051 0.881331 ] [ 0.900949 0.381331 0.618669 ] [ 0.900949 0.618669 0.381331 ] [ 0.599051 0.118669 0.118669 ] [ 0.881331 0.118669 0.400949 ] [ 0.881331 0.400949 0.118669 ] [ 0.099051 0.381331 0.381331 ] [ 0.618669 0.099051 0.618669 ] [ 0.618669 0.618669 0.099051 ] [ 0.118669 0.881331 0.400949 ] [ 0.118669 0.400949 0.881331 ] [ 0.381331 0.381331 0.099051 ] [ 0.381331 0.099051 0.381331 ] [ 0.400949 0.881331 0.118669 ] [ 0.400949 0.118669 0.881331 ] [ 0.099051 0.618669 0.618669 ] [ 0.140415 0.859585 0.859585 ] [ 0.140415 0.140415 0.140415 ] [ 0.859585 0.140415 0.859585 ] [ 0.859585 0.859585 0.140415 ] [ 0.640415 0.359585 0.359585 ] [ 0.640415 0.640415 0.640415 ] [ 0.359585 0.640415 0.359585 ] [ 0.359585 0.359585 0.640415 ] [ 0.371567 0.877571 0.877571 ] [ 0.877571 0.122429 0.628433 ] [ 0.877571 0.628433 0.122429 ] [ 0.884964 0.115036 0.115036 ] [ 0.115036 0.884964 0.115036 ] [ 0.115036 0.115036 0.884964 ] [ 0.122429 0.877571 0.628433 ] [ 0.122429 0.371567 0.122429 ] [ 0.122429 0.628433 0.877571 ] [ 0.122429 0.122429 0.371567 ] [ 0.371567 0.122429 0.122429 ] [ 0.877571 0.371567 0.877571 ] [ 0.877571 0.877571 0.371567 ] [ 0.884964 0.884964 0.884964 ] [ 0.628433 0.877571 0.122429 ] [ 0.628433 0.122429 0.877571 ] [ 0.871567 0.377571 0.377571 ] [ 0.377571 0.622429 0.128433 ] [ 0.377571 0.128433 0.622429 ] [ 0.384964 0.615036 0.615036 ] [ 0.615036 0.384964 0.615036 ] [ 0.615036 0.615036 0.384964 ] [ 0.622429 0.377571 0.128433 ] [ 0.622429 0.871567 0.622429 ] [ 0.622429 0.128433 0.377571 ] [ 0.622429 0.622429 0.871567 ] [ 0.871567 0.622429 0.622429 ] [ 0.377571 0.871567 0.377571 ] [ 0.377571 0.377571 0.871567 ] [ 0.384964 0.384964 0.384964 ] [ 0.128433 0.377571 0.622429 ] [ 0.128433 0.622429 0.377571 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.83537804 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.1880553684375 "source-unit" "eV" } }