{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.166029 0.317129 ] [ 0.75 0.333971 0.817129 ] [ 0.25 0.666029 0.182871 ] [ 0.25 0.833971 0.682871 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0.25 0.102127 0.330151 ] [ 0.25 0.397873 0.830151 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.602127 0.169849 ] [ 0.75 0.897873 0.669849 ] [ 0.75 0.044144 0.490986 ] [ 0.511479 0.135808 0.206664 ] [ 0.988521 0.135808 0.206664 ] [ 0.75 0.106794 0.878517 ] [ 0.25 0.15407 0.92285 ] [ 0.25 0.34593 0.42285 ] [ 0.75 0.393206 0.378517 ] [ 0.511479 0.364192 0.706664 ] [ 0.988521 0.364192 0.706664 ] [ 0.75 0.455856 0.990986 ] [ 0.25 0.544144 0.009014 ] [ 0.011479 0.635808 0.293336 ] [ 0.488521 0.635808 0.293336 ] [ 0.25 0.606794 0.621483 ] [ 0.75 0.65407 0.57715 ] [ 0.75 0.84593 0.07715 ] [ 0.25 0.893206 0.121483 ] [ 0.011479 0.864192 0.793336 ] [ 0.488521 0.864192 0.793336 ] [ 0.25 0.955856 0.509014 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 6.74227919 "source-unit" "angstrom" } "b" { "source-value" 8.12174834 "source-unit" "angstrom" } "c" { "source-value" 8.69112686 "source-unit" "angstrom" } }