{ "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 0.952895 0.716526 ] [ 0.75 0.452895 0.783474 ] [ 0.75 0.332461 0.560544 ] [ 0.25 0.547105 0.216526 ] [ 0.25 0.667539 0.439456 ] [ 0.25 0.047105 0.283474 ] [ 0.75 0.832461 0.939456 ] [ 0.25 0.167539 0.060544 ] [ 0.25 0.498596 0.939534 ] [ 0.75 0.001404 0.439534 ] [ 0.75 0.501404 0.060466 ] [ 0.25 0.125577 0.849741 ] [ 0.75 0.874423 0.150259 ] [ 0.75 0.374423 0.349741 ] [ 0.25 0.998596 0.560466 ] [ 0.25 0.625577 0.650259 ] [ 0.25 0.741885 0.064924 ] [ 0.75 0.758115 0.564924 ] [ 0.25 0.747972 0.814139 ] [ 0.75 0.752028 0.314139 ] [ 0.25 0.241885 0.435076 ] [ 0.75 0.252028 0.185861 ] [ 0.75 0.258115 0.935076 ] [ 0.25 0.247972 0.685861 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05842249 "source-unit" "angstrom" } "b" { "source-value" 7.33788956 "source-unit" "angstrom" } "c" { "source-value" 16.6489538 "source-unit" "angstrom" } }