{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.511246 0.544985 0.25 ] [ 0.011246 0.955015 0.75 ] [ 0.488754 0.455015 0.75 ] [ 0.988754 0.044985 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.211469 0.201241 0.544698 ] [ 0.711469 0.298759 0.455302 ] [ 0.788531 0.798759 0.455302 ] [ 0.288531 0.701241 0.544698 ] [ 0.788531 0.798759 0.044698 ] [ 0.288531 0.701241 0.955302 ] [ 0.211469 0.201241 0.955302 ] [ 0.711469 0.298759 0.044698 ] [ 0.084396 0.47878 0.25 ] [ 0.584396 0.02122 0.75 ] [ 0.415604 0.97878 0.25 ] [ 0.915604 0.52122 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "V" "V" "V" "V" "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" 5.61323129 "source-unit" "angstrom" } "b" { "source-value" 5.73308782262 "source-unit" "angstrom" } "c" { "source-value" 7.85174055692 "source-unit" "angstrom" } }