{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.727482 0.716001 ] [ 0.25 0.272518 0.283999 ] [ 0.75 0.227482 0.783999 ] [ 0.25 0.772518 0.216001 ] [ 0.75 0.437352 0.608722 ] [ 0.25 0.562648 0.391278 ] [ 0.75 0.937352 0.891278 ] [ 0.25 0.062648 0.108722 ] [ 0.75 0.648531 0.000793 ] [ 0.25 0.351469 0.999207 ] [ 0.75 0.148531 0.499207 ] [ 0.25 0.851469 0.500793 ] [ 0.75 0.436831 0.202077 ] [ 0.25 0.563169 0.797923 ] [ 0.75 0.936831 0.297923 ] [ 0.25 0.063169 0.702077 ] [ 0.75 0.392237 0.387345 ] [ 0.25 0.607763 0.612655 ] [ 0.75 0.892237 0.112655 ] [ 0.25 0.107763 0.887345 ] [ 0.75 0.249441 0.121562 ] [ 0.25 0.750559 0.878438 ] [ 0.75 0.749441 0.378438 ] [ 0.25 0.250559 0.621562 ] [ 0.75 0.957935 0.648525 ] [ 0.25 0.042065 0.351475 ] [ 0.75 0.457935 0.851475 ] [ 0.25 0.542065 0.148525 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22232304 "source-unit" "angstrom" } "b" { "source-value" 12.28719616 "source-unit" "angstrom" } "c" { "source-value" 13.52907406 "source-unit" "angstrom" } }