{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.115883 0.868275 ] [ 0 0.884117 0.368275 ] [ 0.5 0.126543 0.499773 ] [ 0 0.873457 0.999773 ] [ 0.5 0.598207 0.401891 ] [ 0 0.401793 0.901891 ] [ 0.5 0.580208 0.961125 ] [ 0 0.419792 0.461125 ] [ 0.5 0.945109 0.177535 ] [ 0 0.054891 0.677535 ] [ 0.751744 0.33231 0.182897 ] [ 0.748256 0.66769 0.682897 ] [ 0.248256 0.33231 0.182897 ] [ 0.251744 0.66769 0.682897 ] [ 0.5 0.574982 0.771802 ] [ 0 0.425018 0.271802 ] [ 0.5 0.825774 0.338419 ] [ 0 0.174226 0.838419 ] [ 0.5 0.413675 0.273272 ] [ 0 0.586325 0.773272 ] [ 0.749412 0.556162 0.510979 ] [ 0.750588 0.443838 0.010979 ] [ 0.250588 0.556162 0.510979 ] [ 0.249412 0.443838 0.010979 ] [ 0.747806 0.086476 0.171789 ] [ 0.752194 0.913524 0.671789 ] [ 0.252194 0.086476 0.171789 ] [ 0.247806 0.913524 0.671789 ] [ 0 0.19029 0.521928 ] [ 0.5 0.80971 0.021928 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.74893342 "source-unit" "angstrom" } "b" { "source-value" 6.88102693 "source-unit" "angstrom" } "c" { "source-value" 9.4048201 "source-unit" "angstrom" } }