{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.992206 0.920201 0.337733 ] [ 0.492206 0.579799 0.837733 ] [ 0.007794 0.079799 0.837733 ] [ 0.507794 0.420201 0.337733 ] [ 0.014992 0.457987 0.550679 ] [ 0.514992 0.042013 0.050679 ] [ 0.985008 0.542013 0.050679 ] [ 0.485008 0.957987 0.550679 ] [ 0.487042 0.60622 0.254835 ] [ 0.629627 0.968817 0.170396 ] [ 0.538766 0.546756 0.993008 ] [ 0.958505 0.754296 0.02507 ] [ 0.541495 0.254296 0.02507 ] [ 0.038766 0.953244 0.493008 ] [ 0.870373 0.468817 0.170396 ] [ 0.301978 0.014349 0.074578 ] [ 0.646887 0.732667 0.78612 ] [ 0.512958 0.39378 0.754835 ] [ 0.853113 0.232667 0.78612 ] [ 0.987042 0.89378 0.754835 ] [ 0.353113 0.267333 0.28612 ] [ 0.698022 0.985651 0.574578 ] [ 0.198022 0.514349 0.074578 ] [ 0.370373 0.031183 0.670396 ] [ 0.427528 0.079463 0.42989 ] [ 0.717975 0.330061 0.32422 ] [ 0.458505 0.745704 0.52507 ] [ 0.572472 0.920537 0.92989 ] [ 0.782025 0.830061 0.32422 ] [ 0.927528 0.420537 0.92989 ] [ 0.012958 0.10622 0.254835 ] [ 0.146887 0.767333 0.28612 ] [ 0.129627 0.531183 0.670396 ] [ 0.461234 0.453244 0.493008 ] [ 0.217975 0.169939 0.82422 ] [ 0.801978 0.485651 0.574578 ] [ 0.072472 0.579463 0.42989 ] [ 0.282025 0.669939 0.82422 ] [ 0.041495 0.245704 0.52507 ] [ 0.961234 0.046756 0.993008 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "P" "P" "P" "P" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.19623032 "source-unit" "angstrom" } "b" { "source-value" 11.40269498 "source-unit" "angstrom" } "c" { "source-value" 16.23096342 "source-unit" "angstrom" } }