{ "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" [ [ 0.931628 0.5 0.715424 ] [ 0.565497 0.5 0.219606 ] [ 0.434495 0 0.783275 ] [ 0.037831 0 0.275572 ] [ 0.906815 0 0.597849 ] [ 0.588295 0 0.096513 ] [ 0.416225 0.5 0.901162 ] [ 0.090656 0.5 0.401728 ] [ 0.838068 0 0.446559 ] [ 0.765502 0.201188 0.671312 ] [ 0.765502 0.798812 0.671312 ] [ 0.774097 0.5 0.38288 ] [ 0.72952 0.5 0.881165 ] [ 0.743827 0.198378 0.172266 ] [ 0.743827 0.801622 0.172266 ] [ 0.65914 0 0.945625 ] [ 0.358074 0.5 0.054551 ] [ 0.269101 0.701479 0.830478 ] [ 0.269101 0.298521 0.830478 ] [ 0.279741 0 0.115761 ] [ 0.221805 0 0.618983 ] [ 0.229932 0.704257 0.330073 ] [ 0.229932 0.295743 0.330073 ] [ 0.151392 0.5 0.555088 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Cr" "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" 4.86318219 "source-unit" "angstrom" } "b" { "source-value" 5.97186359 "source-unit" "angstrom" } "c" { "source-value" 9.85736148 "source-unit" "angstrom" } "beta" { "source-value" 90.72199944 "source-unit" "degree" } }