{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.076603 0.099938 ] [ 0.75 0.423397 0.599938 ] [ 0.25 0.576603 0.400062 ] [ 0.25 0.923397 0.900062 ] [ 0.25 0.398464 0.074682 ] [ 0.75 0.617168 0.207785 ] [ 0.75 0.882832 0.707785 ] [ 0.25 0.117168 0.292215 ] [ 0.75 0.601536 0.925318 ] [ 0.75 0.898464 0.425318 ] [ 0.25 0.101536 0.574682 ] [ 0.25 0.382832 0.792215 ] [ 0.25 0.808223 0.149685 ] [ 0.75 0.191777 0.850315 ] [ 0.75 0.308223 0.350315 ] [ 0.25 0.691777 0.649685 ] [ 0.25 0.431388 0.598552 ] [ 0.75 0.568612 0.401448 ] [ 0.75 0.931388 0.901448 ] [ 0.25 0.068612 0.098552 ] [ 0.003476 0.853072 0.275485 ] [ 0.503476 0.146928 0.724515 ] [ 0.996524 0.353072 0.224515 ] [ 0.496524 0.646928 0.775485 ] [ 0.996524 0.146928 0.724515 ] [ 0.496524 0.853072 0.275485 ] [ 0.003476 0.646928 0.775485 ] [ 0.503476 0.353072 0.224515 ] [ 0.49497 0.666023 0.065863 ] [ 0.99497 0.333977 0.934137 ] [ 0.50503 0.166023 0.434137 ] [ 0.00503 0.833977 0.565863 ] [ 0.99497 0.166023 0.434137 ] [ 0.49497 0.833977 0.565863 ] [ 0.00503 0.666023 0.065863 ] [ 0.50503 0.333977 0.934137 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Zn" "Zn" "Zn" "Zn" "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" 5.85958533 "source-unit" "angstrom" } "b" { "source-value" 7.29040795 "source-unit" "angstrom" } "c" { "source-value" 12.67919188 "source-unit" "angstrom" } }