{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.744714 0.387205 0.180076 ] [ 0.003982 0.003856 0.995077 ] [ 0.000561 0.994332 0.505732 ] [ 0.676196 0.357323 0.759339 ] [ 0.320102 0.644809 0.239701 ] [ 0.356337 0.221 0.91153 ] [ 0.751846 0.217536 0.604355 ] [ 0.696647 0.657407 0.663737 ] [ 0.118701 0.670794 0.122844 ] [ 0.8471 0.311852 0.899858 ] [ 0.315022 0.344451 0.33517 ] [ 0.259379 0.794955 0.388334 ] [ 0.640145 0.767583 0.084796 ] [ 0.878425 0.066817 0.256729 ] [ 0.120644 0.944654 0.741316 ] ] } "species" { "source-value" [ "Li" "V" "Fe" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.16155005 "source-unit" "angstrom" } "b" { "source-value" 5.34790218 "source-unit" "angstrom" } "c" { "source-value" 7.38730704 "source-unit" "angstrom" } "alpha" { "source-value" 109.53899734 "source-unit" "degree" } "beta" { "source-value" 105.74723713 "source-unit" "degree" } "gamma" { "source-value" 97.52654568 "source-unit" "degree" } }