{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.874267 0.438901 ] [ 0.5 0.874267 0.061099 ] [ 0.5 0.125733 0.561099 ] [ 0.5 0.125733 0.938901 ] [ 0 0.374267 0.438901 ] [ 0 0.374267 0.061099 ] [ 0 0.625733 0.561099 ] [ 0 0.625733 0.938901 ] [ 0 0.118032 0.25 ] [ 0 0.881968 0.75 ] [ 0.5 0.618032 0.25 ] [ 0.5 0.381968 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.958372 0.25 ] [ 0.5 0.778962 0.618054 ] [ 0.5 0.778962 0.881946 ] [ 0.5 0.041628 0.75 ] [ 0.5 0.221038 0.118054 ] [ 0.5 0.221038 0.381946 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.458372 0.25 ] [ 0 0.278962 0.618054 ] [ 0 0.278962 0.881946 ] [ 0 0.541628 0.75 ] [ 0 0.721038 0.118054 ] [ 0 0.721038 0.381946 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 2.97636637 "source-unit" "angstrom" } "b" { "source-value" 9.65732534 "source-unit" "angstrom" } "c" { "source-value" 9.90172283 "source-unit" "angstrom" } }