{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.10762 0.670374 0.41408 ] [ 0.562755 0.89238 0.080746 ] [ 0.329626 0.437245 0.747413 ] [ 0.89238 0.562755 0.919254 ] [ 0.437245 0.329626 0.252587 ] [ 0.670374 0.10762 0.58592 ] [ 0.547363 0 0.833333 ] [ 0.452637 0.452637 0.5 ] [ 0 0.547363 0.166667 ] [ 0.795673 0 0.333333 ] [ 0 0.795673 0.666667 ] [ 0.204327 0.204327 0 ] [ 0.1591 0.865124 0.032611 ] [ 0.557212 0.89849 0.441644 ] [ 0.10151 0.658722 0.774977 ] [ 0.706024 0.8409 0.699278 ] [ 0.8409 0.706024 0.300722 ] [ 0.134876 0.293976 0.365944 ] [ 0.341278 0.442788 0.10831 ] [ 0.442788 0.341278 0.89169 ] [ 0.89849 0.557212 0.558356 ] [ 0.293976 0.134876 0.634056 ] [ 0.865124 0.1591 0.967389 ] [ 0.658722 0.10151 0.225023 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.04874061 "source-unit" "angstrom" } "c" { "source-value" 11.82991474 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.8541462075 "source-unit" "eV" } }