{ "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" [ [ 0.75 0.813081 0.710108 ] [ 0.75 0.46973 0.06604 ] [ 0.75 0.230725 0.05915 ] [ 0.25 0.96973 0.43396 ] [ 0.25 0.145969 0.965468 ] [ 0.25 0.354031 0.465468 ] [ 0.25 0.53027 0.93396 ] [ 0.75 0.645969 0.534532 ] [ 0.25 0.972564 0.673461 ] [ 0.25 0.769275 0.94085 ] [ 0.75 0.027436 0.326539 ] [ 0.75 0.472564 0.826539 ] [ 0.25 0.527436 0.173461 ] [ 0.75 0.32008 0.348984 ] [ 0.25 0.730725 0.44085 ] [ 0.25 0.67992 0.651016 ] [ 0.75 0.854031 0.034532 ] [ 0.75 0.269275 0.55915 ] [ 0.75 0.17992 0.848984 ] [ 0.25 0.82008 0.151016 ] [ 0.25 0.186919 0.289892 ] [ 0.25 0.313081 0.789892 ] [ 0.75 0.03027 0.56604 ] [ 0.75 0.686919 0.210108 ] [ 0.99083 0.040704 0.129855 ] [ 0.983323 0.161669 0.687725 ] [ 0.483323 0.661669 0.812275 ] [ 0.983323 0.338331 0.187725 ] [ 0.99083 0.459296 0.629855 ] [ 0.016677 0.838331 0.312275 ] [ 0.516677 0.338331 0.187725 ] [ 0.00917 0.959296 0.870145 ] [ 0.49083 0.540704 0.370145 ] [ 0.016677 0.661669 0.812275 ] [ 0.00917 0.540704 0.370145 ] [ 0.516677 0.161669 0.687725 ] [ 0.50917 0.040704 0.129855 ] [ 0.483323 0.838331 0.312275 ] [ 0.50917 0.459296 0.629855 ] [ 0.49083 0.959296 0.870145 ] [ 0.25 0.551121 0.515564 ] [ 0.75 0.17595 0.219242 ] [ 0.006877 0.659947 0.066486 ] [ 0.75 0.32405 0.719242 ] [ 0.25 0.392481 0.307225 ] [ 0.25 0.107519 0.807225 ] [ 0.75 0.488948 0.241442 ] [ 0.25 0.988948 0.258558 ] [ 0.993123 0.159947 0.433514 ] [ 0.25 0.375195 0.060463 ] [ 0.493123 0.840053 0.566486 ] [ 0.25 0.301183 0.623441 ] [ 0.25 0.198817 0.123441 ] [ 0.75 0.624805 0.939537 ] [ 0.506877 0.159947 0.433514 ] [ 0.25 0.511052 0.758558 ] [ 0.75 0.875195 0.439537 ] [ 0.25 0.67595 0.280758 ] [ 0.506877 0.340053 0.933514 ] [ 0.75 0.801183 0.876559 ] [ 0.493123 0.659947 0.066486 ] [ 0.25 0.82405 0.780758 ] [ 0.75 0.448879 0.484436 ] [ 0.75 0.011052 0.741442 ] [ 0.006877 0.840053 0.566486 ] [ 0.25 0.948879 0.015564 ] [ 0.75 0.051121 0.984436 ] [ 0.75 0.698817 0.376559 ] [ 0.75 0.892481 0.192775 ] [ 0.993123 0.340053 0.933514 ] [ 0.75 0.607519 0.692775 ] [ 0.25 0.124805 0.560463 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.42632743 "source-unit" "angstrom" } "b" { "source-value" 13.72857368 "source-unit" "angstrom" } "c" { "source-value" 16.93101908 "source-unit" "angstrom" } }