{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.018566 0.918285 0.75 ] [ 0.518566 0.581715 0.25 ] [ 0.481434 0.418285 0.75 ] [ 0.981434 0.081715 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.701344 0.325151 0.443802 ] [ 0.201344 0.174849 0.556198 ] [ 0.798656 0.825151 0.056198 ] [ 0.298656 0.674849 0.943802 ] [ 0.298656 0.674849 0.556198 ] [ 0.798656 0.825151 0.443802 ] [ 0.201344 0.174849 0.943802 ] [ 0.701344 0.325151 0.056198 ] [ 0.117505 0.458477 0.25 ] [ 0.617505 0.041523 0.75 ] [ 0.882495 0.541523 0.75 ] [ 0.382495 0.958477 0.25 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Mn" "Mn" "Mn" "Mn" "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" 5.3437576 "source-unit" "angstrom" } "b" { "source-value" 5.87622428 "source-unit" "angstrom" } "c" { "source-value" 7.50794785 "source-unit" "angstrom" } }