{ "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" [ [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.75 0.127025 ] [ 0.5 0.25 0.872975 ] [ 0 0.25 0.627025 ] [ 0 0.75 0.372975 ] [ 0.72342 0.25 0.989473 ] [ 0.72342 0.75 0.010527 ] [ 0.5 0.965859 0.233676 ] [ 0 0.034141 0.733676 ] [ 0.27658 0.25 0.989473 ] [ 0.27658 0.75 0.010527 ] [ 0.5 0.034141 0.766324 ] [ 0 0.965859 0.266324 ] [ 0.22342 0.75 0.489473 ] [ 0.22342 0.25 0.510527 ] [ 0 0.465859 0.733676 ] [ 0.5 0.534141 0.233676 ] [ 0.77658 0.75 0.489473 ] [ 0.77658 0.25 0.510527 ] [ 0 0.534141 0.266324 ] [ 0.5 0.465859 0.766324 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.70100012 "source-unit" "angstrom" } "b" { "source-value" 5.99066644 "source-unit" "angstrom" } "c" { "source-value" 8.07388649 "source-unit" "angstrom" } }