{ "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" [ [ 0.75 0.910754 0.828576 ] [ 0.25 0.089246 0.171424 ] [ 0.75 0.410754 0.671424 ] [ 0.25 0.589246 0.328576 ] [ 0.75 0.661052 0.052188 ] [ 0.25 0.338948 0.947812 ] [ 0.75 0.161052 0.447812 ] [ 0.25 0.838948 0.552188 ] [ 0.75 0.805684 0.211783 ] [ 0.25 0.194316 0.788217 ] [ 0.75 0.305684 0.288217 ] [ 0.25 0.694316 0.711783 ] [ 0.75 0.664127 0.494147 ] [ 0.25 0.335873 0.505853 ] [ 0.75 0.164127 0.005853 ] [ 0.25 0.835873 0.994147 ] [ 0.75 0.511256 0.895218 ] [ 0.25 0.488744 0.104782 ] [ 0.75 0.011256 0.604782 ] [ 0.25 0.988744 0.395218 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.82983054 "source-unit" "angstrom" } "b" { "source-value" 7.87650054 "source-unit" "angstrom" } "c" { "source-value" 13.15737217 "source-unit" "angstrom" } }