{ "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" [ [ 0.303579 0.044464 0.718731 ] [ 0.378492 0.568502 0.740697 ] [ 0.641911 0.597066 0.214732 ] [ 0.814046 0.836476 0.875911 ] [ 0.754996 0.143152 0.225465 ] [ 0.211128 0.840168 0.317697 ] [ 0.831754 0.333526 0.630014 ] [ 0.294548 0.344506 0.393525 ] [ 0.737198 0.82969 0.55566 ] [ 0.336164 0.853641 0.020652 ] [ 0.751214 0.343809 0.920388 ] [ 0.091675 0.840063 0.045252 ] [ 0.184734 0.400883 0.559165 ] [ 0.128592 0.153108 0.310438 ] [ 0.295057 0.52797 0.290574 ] [ 0.414915 0.839341 0.877546 ] [ 0.44723 0.883108 0.536343 ] [ 0.556468 0.302393 0.802806 ] [ 0.512764 0.876399 0.143345 ] [ 0.591957 0.293073 0.428829 ] [ 0.706545 0.353618 0.064924 ] [ 0.757317 0.648003 0.668211 ] [ 0.844011 0.769125 0.39639 ] [ 0.982224 0.374938 0.869277 ] [ 0.905403 0.020777 0.652232 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.11056517 "source-unit" "angstrom" } "b" { "source-value" 6.45758303 "source-unit" "angstrom" } "c" { "source-value" 8.47066365 "source-unit" "angstrom" } "alpha" { "source-value" 94.84087139 "source-unit" "degree" } "beta" { "source-value" 94.87873505 "source-unit" "degree" } "gamma" { "source-value" 94.06366399 "source-unit" "degree" } }