{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.007913 0.094896 0.032099 ] [ 0.992087 0.594896 0.467901 ] [ 0.492087 0.905104 0.532099 ] [ 0.507913 0.405104 0.967901 ] [ 0.455696 0.768406 0.185862 ] [ 0.544304 0.268406 0.314138 ] [ 0.044304 0.231594 0.685862 ] [ 0.955696 0.731594 0.814138 ] [ 0.906253 0.503124 0.15389 ] [ 0.093747 0.003124 0.34611 ] [ 0.593747 0.496876 0.65389 ] [ 0.406253 0.996876 0.84611 ] [ 0.786848 0.668775 0.05981 ] [ 0.784532 0.304612 0.106454 ] [ 0.230259 0.503298 0.157619 ] [ 0.23437 0.035003 0.198692 ] [ 0.76563 0.535003 0.301308 ] [ 0.769741 0.003298 0.342381 ] [ 0.215468 0.804612 0.393546 ] [ 0.213152 0.168775 0.44019 ] [ 0.713152 0.331225 0.55981 ] [ 0.715468 0.695388 0.606454 ] [ 0.269741 0.496702 0.657619 ] [ 0.26563 0.964997 0.698692 ] [ 0.73437 0.464997 0.801308 ] [ 0.730259 0.996702 0.842381 ] [ 0.284532 0.195388 0.893546 ] [ 0.286848 0.831225 0.94019 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.76352749 "source-unit" "angstrom" } "b" { "source-value" 6.91540564 "source-unit" "angstrom" } "c" { "source-value" 9.54124745 "source-unit" "angstrom" } }