{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.495572 0.25 0.218994 ] [ 0.995572 0.75 0.281006 ] [ 0.004428 0.25 0.718994 ] [ 0.504428 0.75 0.781006 ] [ 0.943906 0.25 0.395653 ] [ 0.443906 0.75 0.104347 ] [ 0.056094 0.75 0.604347 ] [ 0.556094 0.25 0.895653 ] [ 0.296903 0.956236 0.177194 ] [ 0.796903 0.043764 0.322806 ] [ 0.703097 0.456236 0.822806 ] [ 0.203097 0.543764 0.677194 ] [ 0.703097 0.043764 0.822806 ] [ 0.203097 0.956236 0.677194 ] [ 0.296903 0.543764 0.177194 ] [ 0.796903 0.456236 0.322806 ] [ 0.230464 0.25 0.889115 ] [ 0.730464 0.75 0.610885 ] [ 0.769536 0.75 0.110885 ] [ 0.269536 0.25 0.389115 ] [ 0.830182 0.25 0.542653 ] [ 0.330182 0.75 0.957347 ] [ 0.669818 0.25 0.042653 ] [ 0.169818 0.75 0.457347 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "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" 5.24914444 "source-unit" "angstrom" } "b" { "source-value" 6.48454376 "source-unit" "angstrom" } "c" { "source-value" 11.02910594 "source-unit" "angstrom" } }