{ "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 0.721298 0.797338 ] [ 0.75 0.278702 0.202662 ] [ 0.25 0.221298 0.702662 ] [ 0.75 0.778702 0.297338 ] [ 0.75 0.748386 0.561065 ] [ 0.25 0.251614 0.438935 ] [ 0.75 0.248386 0.938935 ] [ 0.25 0.751614 0.061065 ] [ 0.25 0.589492 0.193373 ] [ 0.75 0.410508 0.806627 ] [ 0.25 0.089492 0.306627 ] [ 0.75 0.910508 0.693373 ] [ 0.75 0.896541 0.134659 ] [ 0.25 0.103459 0.865341 ] [ 0.75 0.396541 0.365341 ] [ 0.25 0.603459 0.634659 ] [ 0.75 0.865112 0.964299 ] [ 0.25 0.134888 0.035701 ] [ 0.75 0.365112 0.535701 ] [ 0.25 0.634888 0.464299 ] [ 0.25 0.005545 0.558339 ] [ 0.75 0.994455 0.441661 ] [ 0.25 0.505545 0.941661 ] [ 0.75 0.494455 0.058339 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pr" "Pr" "Pr" "Pr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.81298955 "source-unit" "angstrom" } "b" { "source-value" 6.3276073 "source-unit" "angstrom" } "c" { "source-value" 15.85253821 "source-unit" "angstrom" } }