{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.735913 0.120081 ] [ 0.75 0.264087 0.879919 ] [ 0.75 0.235913 0.379919 ] [ 0.25 0.764087 0.620081 ] [ 0.25 0.234957 0.250114 ] [ 0.75 0.765043 0.749886 ] [ 0.75 0.734957 0.249886 ] [ 0.25 0.265043 0.750114 ] [ 0.25 0.233526 0.000741 ] [ 0.75 0.766474 0.999259 ] [ 0.75 0.733526 0.499259 ] [ 0.25 0.266474 0.500741 ] [ 0.25 0.735162 0.325071 ] [ 0.75 0.264838 0.674929 ] [ 0.75 0.235162 0.174929 ] [ 0.25 0.764838 0.825071 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.37691539 "source-unit" "angstrom" } "b" { "source-value" 4.38323898 "source-unit" "angstrom" } "c" { "source-value" 21.07593853 "source-unit" "angstrom" } }