{ "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 0.809003 0.98352 ] [ 0.75 0.190997 0.01648 ] [ 0.75 0.309003 0.51648 ] [ 0.25 0.690997 0.48352 ] [ 0.25 0.359331 0.845962 ] [ 0.75 0.640669 0.154038 ] [ 0.75 0.859331 0.654038 ] [ 0.25 0.140669 0.345962 ] [ 0.556332 0.93518 0.70025 ] [ 0.056332 0.06482 0.29975 ] [ 0.443668 0.43518 0.79975 ] [ 0.943668 0.56482 0.20025 ] [ 0.25 0.288021 0.441068 ] [ 0.75 0.711979 0.558932 ] [ 0.75 0.788021 0.058932 ] [ 0.25 0.211979 0.941068 ] [ 0.443668 0.06482 0.29975 ] [ 0.943668 0.93518 0.70025 ] [ 0.556332 0.56482 0.20025 ] [ 0.056332 0.43518 0.79975 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "N" "N" "N" "N" "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" 5.67559383 "source-unit" "angstrom" } "b" { "source-value" 6.95963477 "source-unit" "angstrom" } "c" { "source-value" 7.79946773 "source-unit" "angstrom" } }