{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.13488 0.75 ] [ 0 0.833941 0.75 ] [ 0 0.166059 0.25 ] [ 0 0.86512 0.25 ] [ 0.5 0.63488 0.75 ] [ 0.5 0.333941 0.75 ] [ 0.5 0.666059 0.25 ] [ 0.5 0.36512 0.25 ] [ 0.5 0.121525 0.25 ] [ 0.5 0.878475 0.75 ] [ 0 0.621525 0.25 ] [ 0 0.378475 0.75 ] [ 0.5 0.98937 0.75 ] [ 0.757425 0.128743 0.020483 ] [ 0.757425 0.128743 0.479517 ] [ 0.242575 0.128743 0.020483 ] [ 0.242575 0.128743 0.479517 ] [ 0.5 0.239852 0.25 ] [ 0.5 0.760148 0.75 ] [ 0.242575 0.871257 0.979517 ] [ 0.757425 0.871257 0.520483 ] [ 0.757425 0.871257 0.979517 ] [ 0.242575 0.871257 0.520483 ] [ 0.5 0.01063 0.25 ] [ 0 0.48937 0.75 ] [ 0.257425 0.628743 0.020483 ] [ 0.257425 0.628743 0.479517 ] [ 0.742575 0.628743 0.020483 ] [ 0.742575 0.628743 0.479517 ] [ 0 0.739852 0.25 ] [ 0 0.260148 0.75 ] [ 0.742575 0.371257 0.979517 ] [ 0.257425 0.371257 0.520483 ] [ 0.257425 0.371257 0.979517 ] [ 0.742575 0.371257 0.520483 ] [ 0 0.51063 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.55098783 "source-unit" "angstrom" } "b" { "source-value" 15.87419702 "source-unit" "angstrom" } "c" { "source-value" 5.61415645 "source-unit" "angstrom" } }