{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.825123 0.950016 ] [ 0 0.989565 0.801533 ] [ 0.5 0.489565 0.698467 ] [ 0 0.325123 0.549984 ] [ 0 0.674877 0.450016 ] [ 0.5 0.510435 0.301533 ] [ 0 0.010435 0.198467 ] [ 0.5 0.174877 0.049984 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.22951 0.79392 ] [ 0 0.72951 0.70608 ] [ 0 0.27049 0.29392 ] [ 0.5 0.77049 0.20608 ] [ 0.5 0.374475 0.883089 ] [ 0 0.747398 0.855667 ] [ 0.5 0.073899 0.858178 ] [ 0 0.573899 0.641822 ] [ 0.5 0.247398 0.644333 ] [ 0 0.874475 0.616911 ] [ 0 0.125525 0.383089 ] [ 0.5 0.752602 0.355667 ] [ 0 0.426101 0.358178 ] [ 0.5 0.926101 0.141822 ] [ 0 0.252602 0.144333 ] [ 0.5 0.625525 0.116911 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "B" "B" "B" "B" "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" 3.39789408 "source-unit" "angstrom" } "b" { "source-value" 7.95808897 "source-unit" "angstrom" } "c" { "source-value" 9.260955 "source-unit" "angstrom" } }