{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.236235 0.75 0.88735 ] [ 0.263765 0.75 0.38735 ] [ 0.763765 0.25 0.11265 ] [ 0.736235 0.25 0.61265 ] [ 0.791401 0.500523 0.345381 ] [ 0.291401 0.000523 0.154619 ] [ 0.708599 0.999477 0.845381 ] [ 0.208599 0.499477 0.654619 ] [ 0.708599 0.500523 0.845381 ] [ 0.208599 0.000523 0.654619 ] [ 0.791401 0.999477 0.345381 ] [ 0.291401 0.499477 0.154619 ] [ 0.297887 0.25 0.402185 ] [ 0.202113 0.25 0.902185 ] [ 0.702113 0.75 0.597815 ] [ 0.797887 0.75 0.097815 ] [ 0.758098 0.75 0.445717 ] [ 0.323692 0.433613 0.837921 ] [ 0.676308 0.933613 0.162079 ] [ 0.323692 0.066387 0.837921 ] [ 0.608343 0.25 0.380811 ] [ 0.391657 0.75 0.619189 ] [ 0.741902 0.75 0.945717 ] [ 0.176308 0.433613 0.337921 ] [ 0.823692 0.566387 0.662079 ] [ 0.676308 0.566387 0.162079 ] [ 0.891657 0.25 0.880811 ] [ 0.108343 0.75 0.119189 ] [ 0.258098 0.25 0.054283 ] [ 0.241902 0.25 0.554283 ] [ 0.176308 0.066387 0.337921 ] [ 0.823692 0.933613 0.662079 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "P" "P" "P" "P" "O" "O" "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" 4.99234151 "source-unit" "angstrom" } "b" { "source-value" 6.94566931 "source-unit" "angstrom" } "c" { "source-value" 10.12336771 "source-unit" "angstrom" } }