{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.248666 0.5 ] [ 0.5 0.748666 0.5 ] [ 0 0.629494 0.5 ] [ 0.5 0.129494 0.5 ] [ 0.783212 0.962914 0.091118 ] [ 0.216788 0.962914 0.908882 ] [ 0.283212 0.462914 0.091118 ] [ 0.716788 0.462914 0.908882 ] [ 0.610887 0.945302 0.779058 ] [ 0.824197 0.789565 0.250999 ] [ 0 0.036405 0 ] [ 0.248131 0.107112 0.686491 ] [ 0.751869 0.107112 0.313509 ] [ 0.389113 0.945302 0.220942 ] [ 0.175803 0.789565 0.749001 ] [ 0.110887 0.445302 0.779058 ] [ 0.324197 0.289565 0.250999 ] [ 0.5 0.536405 0 ] [ 0.748131 0.607112 0.686491 ] [ 0.251869 0.607112 0.313509 ] [ 0.889113 0.445302 0.220942 ] [ 0.675803 0.289565 0.749001 ] ] } "species" { "source-value" [ "Li" "Li" "Sc" "Sc" "As" "As" "As" "As" "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" 6.89753452516 "source-unit" "angstrom" } "b" { "source-value" 8.68476728699 "source-unit" "angstrom" } "c" { "source-value" 4.92034230644 "source-unit" "angstrom" } "beta" { "source-value" 103.952896561 "source-unit" "degree" } }