{ "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" [ [ 0.0148 0.944816 0.75 ] [ 0.5148 0.555184 0.25 ] [ 0.4852 0.444816 0.75 ] [ 0.9852 0.055184 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.69532 0.30003 0.444527 ] [ 0.19532 0.19997 0.555473 ] [ 0.80468 0.80003 0.055473 ] [ 0.30468 0.69997 0.944527 ] [ 0.30468 0.69997 0.555473 ] [ 0.80468 0.80003 0.444527 ] [ 0.19532 0.19997 0.944527 ] [ 0.69532 0.30003 0.055473 ] [ 0.10549 0.460282 0.25 ] [ 0.60549 0.039718 0.75 ] [ 0.39451 0.960282 0.25 ] [ 0.89451 0.539718 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "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" 5.48913863 "source-unit" "angstrom" } "b" { "source-value" 5.66920804 "source-unit" "angstrom" } "c" { "source-value" 7.88250109 "source-unit" "angstrom" } }