{ "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 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.006124 0.75 0.274777 ] [ 0.993876 0.25 0.725223 ] [ 0.493876 0.75 0.774777 ] [ 0.506124 0.25 0.225223 ] [ 0.06511 0.25 0.40571 ] [ 0.43489 0.25 0.90571 ] [ 0.93489 0.75 0.59429 ] [ 0.56511 0.75 0.09429 ] [ 0.77829 0.530967 0.671087 ] [ 0.22171 0.469033 0.328913 ] [ 0.72171 0.530967 0.171087 ] [ 0.77829 0.969033 0.671087 ] [ 0.27829 0.030967 0.828913 ] [ 0.780106 0.25 0.901882 ] [ 0.27829 0.469033 0.828913 ] [ 0.22171 0.030967 0.328913 ] [ 0.219894 0.75 0.098118 ] [ 0.719894 0.25 0.401882 ] [ 0.796474 0.75 0.444968 ] [ 0.280106 0.75 0.598118 ] [ 0.703526 0.75 0.944968 ] [ 0.296474 0.25 0.055032 ] [ 0.203526 0.25 0.555032 ] [ 0.72171 0.969033 0.171087 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mg" "Mg" "Mg" "Mg" "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" 4.94657342 "source-unit" "angstrom" } "b" { "source-value" 6.0507677 "source-unit" "angstrom" } "c" { "source-value" 10.57927834 "source-unit" "angstrom" } }