{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.057357 ] [ 0.333333 0.666667 0.557357 ] [ 0.666667 0.333333 0.442643 ] [ 0.333333 0.666667 0.942643 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.870592 0.62288 0.75 ] [ 0.247713 0.870592 0.25 ] [ 0.62288 0.752287 0.25 ] [ 0.37712 0.247713 0.75 ] [ 0.752287 0.129408 0.75 ] [ 0.129408 0.37712 0.25 ] [ 0.022152 0.245266 0.387433 ] [ 0.776886 0.022152 0.887433 ] [ 0.245266 0.223114 0.887433 ] [ 0.754734 0.776886 0.387433 ] [ 0.223114 0.977848 0.387433 ] [ 0.977848 0.754734 0.887433 ] [ 0.977848 0.754734 0.612567 ] [ 0.223114 0.977848 0.112567 ] [ 0.754734 0.776886 0.112567 ] [ 0.245266 0.223114 0.612567 ] [ 0.776886 0.022152 0.612567 ] [ 0.022152 0.245266 0.112567 ] [ 0.406778 0.488232 0.25 ] [ 0.918546 0.406778 0.75 ] [ 0.488232 0.081454 0.75 ] [ 0.511768 0.918546 0.25 ] [ 0.081454 0.593222 0.25 ] [ 0.593222 0.511768 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ti" "Ti" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.87019677 "source-unit" "angstrom" } "c" { "source-value" 10.07936871 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.454450139666666 "source-unit" "eV" } }