{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.998566 0.567449 ] [ 0.25 0.501434 0.067449 ] [ 0.75 0.498566 0.932551 ] [ 0.75 0.001434 0.432551 ] [ 0.25 0.626676 0.749458 ] [ 0.75 0.126676 0.750542 ] [ 0.75 0.373324 0.250542 ] [ 0.25 0.873324 0.249458 ] [ 0.75 0.815118 0.086517 ] [ 0.75 0.684882 0.586517 ] [ 0.25 0.315118 0.413483 ] [ 0.25 0.184882 0.913483 ] [ 0.030799 0.150053 0.443302 ] [ 0.25 0.10709 0.743463 ] [ 0.75 0.60709 0.756537 ] [ 0.75 0.539207 0.462162 ] [ 0.25 0.039207 0.037838 ] [ 0.969201 0.650053 0.056698 ] [ 0.469201 0.349947 0.943302 ] [ 0.469201 0.150053 0.443302 ] [ 0.25 0.39291 0.243463 ] [ 0.75 0.960793 0.962162 ] [ 0.25 0.460793 0.537838 ] [ 0.530799 0.650053 0.056698 ] [ 0.530799 0.849947 0.556698 ] [ 0.030799 0.349947 0.943302 ] [ 0.75 0.89291 0.256537 ] [ 0.969201 0.849947 0.556698 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Tl" "Tl" "Tl" "Tl" "Si" "Si" "Si" "Si" "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" 5.57802516 "source-unit" "angstrom" } "b" { "source-value" 7.32554244 "source-unit" "angstrom" } "c" { "source-value" 9.13818991 "source-unit" "angstrom" } }