{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.24794 0.999681 0.875231 ] [ 0.750663 0.001354 0.625703 ] [ 0.249337 0.998646 0.374297 ] [ 0.75206 0.000319 0.124769 ] [ 0 0.5 1 ] [ 0.499745 0.499598 0.749867 ] [ 0 0.5 0.5 ] [ 0.500255 0.500402 0.250133 ] [ 0.127766 0.271553 0.693598 ] [ 0.871652 0.72739 0.807734 ] [ 0.627133 0.26951 0.44202 ] [ 0.372867 0.73049 0.55798 ] [ 0.128348 0.27261 0.192266 ] [ 0.872234 0.728447 0.306402 ] [ 0.631085 0.272644 0.943418 ] [ 0.368915 0.727356 0.056582 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Fe" "Fe" "Fe" "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" 5.17216022 "source-unit" "angstrom" } "b" { "source-value" 5.18489179 "source-unit" "angstrom" } "c" { "source-value" 5.96628088 "source-unit" "angstrom" } "alpha" { "source-value" 106.75660876 "source-unit" "degree" } "beta" { "source-value" 89.98289046 "source-unit" "degree" } "gamma" { "source-value" 99.51075386 "source-unit" "degree" } }