{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.518602 0.733447 0.763767 ] [ 0.462513 0.715352 0.229793 ] [ 0.977073 0.737438 0.217952 ] [ 0.998538 0.744217 0.767445 ] [ 0.001462 0.255783 0.232555 ] [ 0.022927 0.262562 0.782048 ] [ 0.537487 0.284648 0.770207 ] [ 0.481398 0.266553 0.236233 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "V" "V" "Cr" "Cr" "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" 5.87248895 "source-unit" "angstrom" } "b" { "source-value" 5.95013392 "source-unit" "angstrom" } "c" { "source-value" 5.96038194 "source-unit" "angstrom" } "alpha" { "source-value" 90.90698842 "source-unit" "degree" } "beta" { "source-value" 119.4778779 "source-unit" "degree" } "gamma" { "source-value" 119.13504411 "source-unit" "degree" } }