{ "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 0.410909 0.374543 ] [ 0.75 0.589091 0.625457 ] [ 0.495446 0.736619 0.376393 ] [ 0.995446 0.263381 0.623607 ] [ 0.504554 0.763381 0.876393 ] [ 0.995446 0.763381 0.876393 ] [ 0.504554 0.263381 0.623607 ] [ 0.004554 0.736619 0.376393 ] [ 0.495446 0.236619 0.123607 ] [ 0.25 0.910909 0.125457 ] [ 0.004554 0.236619 0.123607 ] [ 0.75 0.089091 0.874543 ] [ 0.25 0.061174 0.402953 ] [ 0.25 0.598374 0.642619 ] [ 0.75 0.401626 0.357381 ] [ 0.75 0.901626 0.142619 ] [ 0.25 0.098374 0.857381 ] [ 0.25 0.561174 0.097047 ] [ 0.75 0.938826 0.597047 ] [ 0.75 0.438826 0.902953 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.21755254 "source-unit" "angstrom" } "b" { "source-value" 7.12700421 "source-unit" "angstrom" } "c" { "source-value" 8.20788163 "source-unit" "angstrom" } }