{ "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 0.642589 0.75 ] [ 0 0.357411 0.25 ] [ 0.5 0.142589 0.75 ] [ 0.5 0.857411 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.220877 0.987647 0.25 ] [ 0.220877 0.012353 0.75 ] [ 0 0.774785 0.517553 ] [ 0 0.774785 0.982447 ] [ 0 0.225215 0.017553 ] [ 0 0.225215 0.482447 ] [ 0.779123 0.987647 0.25 ] [ 0.779123 0.012353 0.75 ] [ 0.720877 0.487647 0.25 ] [ 0.720877 0.512353 0.75 ] [ 0.5 0.274785 0.517553 ] [ 0.5 0.274785 0.982447 ] [ 0.5 0.725215 0.017553 ] [ 0.5 0.725215 0.482447 ] [ 0.279123 0.487647 0.25 ] [ 0.279123 0.512353 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" 5.85866416 "source-unit" "angstrom" } "b" { "source-value" 8.4034293 "source-unit" "angstrom" } "c" { "source-value" 6.37776277 "source-unit" "angstrom" } }