{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.929021 0.5 0.714678 ] [ 0.566809 0.5 0.21771 ] [ 0.431105 0 0.785135 ] [ 0.043475 0 0.277018 ] [ 0.912664 0 0.600349 ] [ 0.587008 0 0.096793 ] [ 0.417015 0.5 0.900626 ] [ 0.086292 0.5 0.400224 ] [ 0.852642 0 0.447796 ] [ 0.770892 0.200588 0.672004 ] [ 0.770892 0.799412 0.672004 ] [ 0.773739 0.5 0.380893 ] [ 0.72696 0.5 0.880176 ] [ 0.73687 0.19804 0.170823 ] [ 0.73687 0.80196 0.170823 ] [ 0.653971 0 0.94496 ] [ 0.359077 0.5 0.05439 ] [ 0.27261 0.700547 0.830402 ] [ 0.27261 0.299453 0.830402 ] [ 0.281523 0 0.119548 ] [ 0.223411 0 0.621382 ] [ 0.224704 0.702803 0.329033 ] [ 0.224704 0.297197 0.329033 ] [ 0.145134 0.5 0.553801 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Fe" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.92070642 "source-unit" "angstrom" } "b" { "source-value" 6.01260687 "source-unit" "angstrom" } "c" { "source-value" 9.85369814 "source-unit" "angstrom" } "beta" { "source-value" 90.27362869 "source-unit" "degree" } }