{ "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 0.766786 0.168691 ] [ 0.75 0.233214 0.831309 ] [ 0.25 0.266786 0.331309 ] [ 0.75 0.733214 0.668691 ] [ 0.25 0.595203 0.469788 ] [ 0.75 0.404797 0.530212 ] [ 0.25 0.095203 0.030212 ] [ 0.75 0.904797 0.969788 ] [ 0.25 0.029351 0.659813 ] [ 0.75 0.970649 0.340187 ] [ 0.25 0.529351 0.840187 ] [ 0.75 0.470649 0.159813 ] [ 0.75 0.610196 0.950457 ] [ 0.25 0.389804 0.049543 ] [ 0.75 0.110196 0.549543 ] [ 0.25 0.889804 0.450457 ] [ 0.25 0.367443 0.632222 ] [ 0.75 0.632557 0.367778 ] [ 0.25 0.867443 0.867778 ] [ 0.75 0.132557 0.132222 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "P" "P" "P" "P" "P" "P" "P" "P" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.165899 "source-unit" "angstrom" } "b" { "source-value" 7.58206794 "source-unit" "angstrom" } "c" { "source-value" 10.52964052 "source-unit" "angstrom" } }