{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnc2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.27726 ] [ 0.5 0 0.77726 ] [ 0 0.5 0.383927 ] [ 0 0 0.883927 ] [ 0.038182 0.213789 0.169796 ] [ 0.038182 0.286211 0.669796 ] [ 0.456069 0.713066 0.011982 ] [ 0.456069 0.786934 0.511982 ] [ 0.543931 0.213066 0.511982 ] [ 0.543931 0.286934 0.011982 ] [ 0.961818 0.713789 0.669796 ] [ 0.961818 0.786211 0.169796 ] [ 0 0 0.214696 ] [ 0 0.5 0.714696 ] [ 0.234305 0.206356 0.050076 ] [ 0.234305 0.293644 0.550076 ] [ 0.176954 0.158517 0.770082 ] [ 0.176954 0.341483 0.270082 ] [ 0.310597 0.652145 0.417249 ] [ 0.310597 0.847855 0.917249 ] [ 0.26722 0.702771 0.132442 ] [ 0.26722 0.797229 0.632442 ] [ 0.5 0.5 0.964617 ] [ 0.5 0 0.464617 ] [ 0.73278 0.202771 0.632442 ] [ 0.73278 0.297229 0.132442 ] [ 0.689403 0.347855 0.417249 ] [ 0.689403 0.152145 0.917249 ] [ 0.823046 0.841483 0.770082 ] [ 0.823046 0.658517 0.270082 ] [ 0.765695 0.706356 0.550076 ] [ 0.765695 0.793644 0.050076 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 4.85494608 "source-unit" "angstrom" } "b" { "source-value" 7.15893113 "source-unit" "angstrom" } "c" { "source-value" 11.44561088 "source-unit" "angstrom" } }