{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.245274 0.277533 0.432185 ] [ 0.745274 0.722467 0.932185 ] [ 0.754726 0.277533 0.432185 ] [ 0.254726 0.722467 0.932185 ] [ 0.5 0.068639 0.059801 ] [ 0 0.931361 0.559801 ] [ 0.5 0.490645 0.658494 ] [ 0 0.509355 0.158494 ] [ 0.5 0.930473 0.512596 ] [ 0 0.069527 0.012596 ] [ 0.5 0.551849 0.173141 ] [ 0 0.448151 0.673141 ] [ 0 0.76925 0.798376 ] [ 0 0.243882 0.291912 ] [ 0.268708 0.5612 0.478906 ] [ 0.5 0.756118 0.791912 ] [ 0.231292 0.4388 0.978906 ] [ 0.764808 0.110898 0.645052 ] [ 0.731292 0.5612 0.478906 ] [ 0.235192 0.110898 0.645052 ] [ 0.768708 0.4388 0.978906 ] [ 0.264808 0.889102 0.145052 ] [ 0.5 0.23075 0.298376 ] [ 0.735192 0.889102 0.145052 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.88543251771 "source-unit" "angstrom" } "b" { "source-value" 8.28655254182 "source-unit" "angstrom" } "c" { "source-value" 8.81615491411 "source-unit" "angstrom" } }