{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.189702 0.734231 0.914242 ] [ 0.734231 0.810298 0.085758 ] [ 0.810298 0.265769 0.914242 ] [ 0.265769 0.189702 0.085758 ] [ 0.689702 0.234231 0.414242 ] [ 0.234231 0.310298 0.585758 ] [ 0.310298 0.765769 0.414242 ] [ 0.765769 0.689702 0.585758 ] ] } "species" { "source-value" [ "Li" "Li" "Ag" "Ag" "Ag" "Ag" "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" 5.19868126 "source-unit" "angstrom" } "c" { "source-value" 9.9503662 "source-unit" "angstrom" } }