{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.059524 ] [ 0.75 0.5 0.440476 ] [ 0.75 0 0.940476 ] [ 0.25 0.5 0.559524 ] [ 0.018503 0.865206 0.345335 ] [ 0.518503 0.634794 0.154665 ] [ 0.981497 0.365206 0.154665 ] [ 0.481497 0.134794 0.345335 ] [ 0.518503 0.865206 0.654665 ] [ 0.018503 0.634794 0.845335 ] [ 0.481497 0.365206 0.845335 ] [ 0.981497 0.134794 0.654665 ] [ 0.949549 0.347083 0.565136 ] [ 0.449549 0.152917 0.934864 ] [ 0.050451 0.847083 0.934864 ] [ 0.550451 0.652917 0.565136 ] [ 0.050451 0.652917 0.434864 ] [ 0.550451 0.847083 0.065136 ] [ 0.949549 0.152917 0.065136 ] [ 0.449549 0.347083 0.434864 ] [ 0.809262 0.195344 0.789283 ] [ 0.309262 0.304656 0.710717 ] [ 0.190738 0.695344 0.710717 ] [ 0.690738 0.804656 0.789283 ] [ 0.25 0 0.436418 ] [ 0.75 0.5 0.063582 ] [ 0.75 0 0.563582 ] [ 0.25 0.5 0.936418 ] [ 0.309262 0.195344 0.210717 ] [ 0.809262 0.304656 0.289283 ] [ 0.690738 0.695344 0.289283 ] [ 0.190738 0.804656 0.210717 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "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" 6.21880198 "source-unit" "angstrom" } "b" { "source-value" 7.47973462 "source-unit" "angstrom" } "c" { "source-value" 11.11663052 "source-unit" "angstrom" } }