{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.463325 ] [ 0.75 0.75 0.536675 ] [ 0.467466 0.5 0.25 ] [ 0.012495 0.5 0.25 ] [ 0.487505 0 0.25 ] [ 0.032534 0 0.25 ] [ 0.75 0.75 0.963325 ] [ 0.25 0.75 0.036675 ] [ 0.75 0.25 0.963325 ] [ 0.25 0.25 0.036675 ] [ 0.967466 0 0.75 ] [ 0.512495 0 0.75 ] [ 0.987505 0.5 0.75 ] [ 0.532534 0.5 0.75 ] [ 0.25 0.25 0.463325 ] [ 0.75 0.25 0.536675 ] ] } "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" 5.64801319 "source-unit" "angstrom" } "b" { "source-value" 6.18466701 "source-unit" "angstrom" } "c" { "source-value" 8.97518641 "source-unit" "angstrom" } }