{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.014851 0.939016 0.75 ] [ 0.514851 0.560984 0.25 ] [ 0.485149 0.439016 0.75 ] [ 0.985149 0.060984 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.705468 0.29589 0.453664 ] [ 0.205468 0.20411 0.546336 ] [ 0.794532 0.79589 0.046336 ] [ 0.294532 0.70411 0.953664 ] [ 0.294532 0.70411 0.546336 ] [ 0.794532 0.79589 0.453664 ] [ 0.205468 0.20411 0.953664 ] [ 0.705468 0.29589 0.046336 ] [ 0.08772 0.479346 0.25 ] [ 0.58772 0.020654 0.75 ] [ 0.41228 0.979346 0.25 ] [ 0.91228 0.520654 0.75 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Ni" "Ni" "Ni" "Ni" "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" 5.34675394 "source-unit" "angstrom" } "b" { "source-value" 5.54790228 "source-unit" "angstrom" } "c" { "source-value" 7.63106642 "source-unit" "angstrom" } }