{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.991164 0.048148 0.25 ] [ 0.491164 0.451852 0.75 ] [ 0.508836 0.548148 0.25 ] [ 0.008836 0.951852 0.75 ] [ 0.62007 0.06207 0.75 ] [ 0.184818 0.189492 0.56443 ] [ 0.184818 0.189492 0.93557 ] [ 0.684818 0.310508 0.06443 ] [ 0.684818 0.310508 0.43557 ] [ 0.12007 0.43793 0.25 ] [ 0.87993 0.56207 0.75 ] [ 0.315182 0.689492 0.93557 ] [ 0.315182 0.689492 0.56443 ] [ 0.815182 0.810508 0.06443 ] [ 0.815182 0.810508 0.43557 ] [ 0.37993 0.93793 0.25 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Zn" "Zn" "Zn" "Zn" "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" 5.07781701 "source-unit" "angstrom" } "b" { "source-value" 5.18824782 "source-unit" "angstrom" } "c" { "source-value" 7.40550695 "source-unit" "angstrom" } }