{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.499001 0.75 0.719523 ] [ 0.500999 0.25 0.280477 ] [ 0.000999 0.75 0.219523 ] [ 0.999001 0.25 0.780477 ] [ 0.561158 0.25 0.600025 ] [ 0.938842 0.25 0.100025 ] [ 0.438842 0.75 0.399975 ] [ 0.061158 0.75 0.899975 ] [ 0.749026 0.75 0.886528 ] [ 0.250974 0.25 0.113472 ] [ 0.750974 0.75 0.386528 ] [ 0.249026 0.25 0.613472 ] [ 0.833764 0.25 0.96289 ] [ 0.166236 0.75 0.03711 ] [ 0.666236 0.25 0.46289 ] [ 0.333764 0.75 0.53711 ] [ 0.700875 0.052465 0.671425 ] [ 0.299125 0.552465 0.328575 ] [ 0.799125 0.052465 0.171425 ] [ 0.200875 0.552465 0.828575 ] [ 0.200875 0.947535 0.828575 ] [ 0.799125 0.447535 0.171425 ] [ 0.299125 0.947535 0.328575 ] [ 0.700875 0.447535 0.671425 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Y" "Y" "Y" "Y" "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" 5.19102937 "source-unit" "angstrom" } "b" { "source-value" 6.4898413 "source-unit" "angstrom" } "c" { "source-value" 11.27346204 "source-unit" "angstrom" } }