{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcb" } "basis-atom-coordinates" { "source-value" [ [ 0.500327 0.503116 0.374967 ] [ 0.499673 0.496884 0.625033 ] [ 0.500327 0.496884 0.874967 ] [ 0.499673 0.003116 0.374967 ] [ 0.499673 0.996884 0.874967 ] [ 0.499673 0.503116 0.125033 ] [ 0.500327 0.996884 0.625033 ] [ 0.500327 0.003116 0.125033 ] [ 0.145133 0.75 0.5 ] [ 0.145133 0.25 0 ] [ 0.854867 0.25 0.5 ] [ 0.854867 0.75 0 ] [ 0 0.323799 0.25 ] [ 0 0.676201 0.75 ] [ 0 0.823799 0.25 ] [ 0 0.176201 0.75 ] [ 0.486637 0.75 0.5 ] [ 0.513363 0.75 0 ] [ 0.513363 0.25 0.5 ] [ 0.486637 0.25 0 ] [ 0 0.494411 0.25 ] [ 0 0.505589 0.75 ] [ 0 0.994411 0.25 ] [ 0 0.005589 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.95729972 "source-unit" "angstrom" } "b" { "source-value" 7.91596551 "source-unit" "angstrom" } "c" { "source-value" 12.33103688 "source-unit" "angstrom" } }