{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.634087 ] [ 0.5 0.25 0.865913 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.5 0.75 0.134087 ] [ 0 0.75 0.365913 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.770683 0.25 0.003482 ] [ 0.229317 0.25 0.003482 ] [ 0.5 0.987426 0.737937 ] [ 0.5 0.512574 0.737937 ] [ 0 0.987426 0.762063 ] [ 0.270683 0.25 0.496518 ] [ 0 0.512574 0.762063 ] [ 0.729317 0.25 0.496518 ] [ 0.270683 0.75 0.503482 ] [ 0.729317 0.75 0.503482 ] [ 0 0.487426 0.237937 ] [ 0 0.012574 0.237937 ] [ 0.5 0.487426 0.262063 ] [ 0.770683 0.75 0.996518 ] [ 0.5 0.012574 0.262063 ] [ 0.229317 0.75 0.996518 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.38953438 "source-unit" "angstrom" } "b" { "source-value" 7.43216971 "source-unit" "angstrom" } "c" { "source-value" 10.45560229 "source-unit" "angstrom" } }