{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.546221 0.35224 ] [ 0.75 0.453779 0.64776 ] [ 0.25 0.046221 0.14776 ] [ 0.75 0.953779 0.85224 ] [ 0.25 0.669684 0.02848 ] [ 0.75 0.330316 0.97152 ] [ 0.25 0.169684 0.47152 ] [ 0.75 0.830316 0.52848 ] [ 0.75 0.242463 0.330912 ] [ 0.25 0.757537 0.669088 ] [ 0.25 0.257537 0.830912 ] [ 0.75 0.742463 0.169088 ] [ 0.75 0.597154 0.898173 ] [ 0.25 0.402846 0.101827 ] [ 0.25 0.902846 0.398173 ] [ 0.75 0.097154 0.601827 ] [ 0.25 0.887348 0.963618 ] [ 0.75 0.112652 0.036382 ] [ 0.25 0.387348 0.536382 ] [ 0.75 0.612652 0.463618 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "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" 3.7573621 "source-unit" "angstrom" } "b" { "source-value" 8.5288482 "source-unit" "angstrom" } "c" { "source-value" 11.29895663 "source-unit" "angstrom" } }