{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.756981 0.989969 0.172631 ] [ 0.256981 0.489969 0.327369 ] [ 0.756981 0.510031 0.672631 ] [ 0.256981 0.010031 0.827369 ] [ 0.255411 0.740039 0.077973 ] [ 0.755411 0.240039 0.422027 ] [ 0.255411 0.759961 0.577973 ] [ 0.755411 0.259961 0.922027 ] [ 0.25139 0.240086 0.083304 ] [ 0.75139 0.740086 0.416696 ] [ 0.25139 0.259914 0.583304 ] [ 0.75139 0.759914 0.916696 ] [ 0.880551 0.755565 0.051997 ] [ 0.923748 0.229843 0.071625 ] [ 0.332324 0.466484 0.155353 ] [ 0.357235 0.014707 0.150775 ] [ 0.857235 0.514707 0.349225 ] [ 0.832324 0.966484 0.344647 ] [ 0.423748 0.729843 0.428375 ] [ 0.380551 0.255565 0.448003 ] [ 0.880551 0.744435 0.551997 ] [ 0.923748 0.270157 0.571625 ] [ 0.332324 0.033516 0.655353 ] [ 0.357235 0.485293 0.650775 ] [ 0.857235 0.985293 0.849225 ] [ 0.832324 0.533516 0.844647 ] [ 0.423748 0.770157 0.928375 ] [ 0.380551 0.244435 0.948003 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.01936484 "source-unit" "angstrom" } "b" { "source-value" 6.07637701 "source-unit" "angstrom" } "c" { "source-value" 11.30198893 "source-unit" "angstrom" } }