{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.574694 0.047551 ] [ 0.75 0.425306 0.952449 ] [ 0.75 0.074694 0.452449 ] [ 0.25 0.925306 0.547551 ] [ 0.25 0.473443 0.656335 ] [ 0.75 0.973443 0.843665 ] [ 0.25 0.026557 0.156335 ] [ 0.75 0.526557 0.343665 ] [ 0.75 0.740846 0.09283 ] [ 0.75 0.759154 0.59283 ] [ 0.25 0.259154 0.90717 ] [ 0.25 0.240846 0.40717 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.67467384 "source-unit" "angstrom" } "b" { "source-value" 5.55256336 "source-unit" "angstrom" } "c" { "source-value" 8.5057955 "source-unit" "angstrom" } }