{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.589218 0.76069 ] [ 0.75 0.089218 0.73931 ] [ 0.25 0.910782 0.26069 ] [ 0.25 0.410782 0.23931 ] [ 0.75 0.661827 0.45689 ] [ 0.75 0.161827 0.04311 ] [ 0.25 0.838173 0.95689 ] [ 0.25 0.338173 0.54311 ] [ 0.75 0.918222 0.925093 ] [ 0.75 0.418222 0.574907 ] [ 0.25 0.581778 0.425093 ] [ 0.25 0.081778 0.074907 ] [ 0.75 0.845382 0.307045 ] [ 0.75 0.345382 0.192955 ] [ 0.75 0.843412 0.620492 ] [ 0.75 0.343412 0.879508 ] [ 0.25 0.656588 0.120492 ] [ 0.25 0.156588 0.379508 ] [ 0.25 0.654618 0.807045 ] [ 0.25 0.154618 0.692955 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.75075944 "source-unit" "angstrom" } "b" { "source-value" 6.40956034 "source-unit" "angstrom" } "c" { "source-value" 9.86363956 "source-unit" "angstrom" } }