{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.498007 0.519551 0.847063 ] [ 0.498007 0.480449 0.152937 ] [ 0.998007 0.980449 0.847063 ] [ 0.998007 0.019551 0.152937 ] [ 0.998007 0.019551 0.347063 ] [ 0.998007 0.980449 0.652937 ] [ 0.498007 0.480449 0.347063 ] [ 0.498007 0.519551 0.652937 ] [ 0.500831 0.5 0 ] [ 0.000831 0 0 ] [ 0.000831 0 0.5 ] [ 0.500831 0.5 0.5 ] [ 0.964892 0.429235 0.75 ] [ 0.464892 0.070765 0.75 ] [ 0.464892 0.929235 0.25 ] [ 0.964892 0.570765 0.25 ] [ 0.001476 0.498606 0.923868 ] [ 0.001476 0.501394 0.076132 ] [ 0.501476 0.001394 0.923868 ] [ 0.501476 0.998606 0.076132 ] [ 0.501476 0.998606 0.423868 ] [ 0.501476 0.001394 0.576132 ] [ 0.001476 0.501394 0.423868 ] [ 0.001476 0.498606 0.576132 ] [ 0.116921 0.121295 0.75 ] [ 0.616921 0.378705 0.75 ] [ 0.251094 0.249215 0.931023 ] [ 0.251094 0.750785 0.068977 ] [ 0.751094 0.250785 0.931023 ] [ 0.751094 0.749215 0.068977 ] [ 0.750631 0.748659 0.934152 ] [ 0.750631 0.251341 0.065848 ] [ 0.250631 0.751341 0.934152 ] [ 0.250631 0.248659 0.065848 ] [ 0.531007 0.951721 0.822305 ] [ 0.531007 0.048279 0.177695 ] [ 0.031007 0.548279 0.822305 ] [ 0.031007 0.451721 0.177695 ] [ 0.616921 0.621295 0.25 ] [ 0.116921 0.878705 0.25 ] [ 0.751094 0.749215 0.431023 ] [ 0.751094 0.250785 0.568977 ] [ 0.251094 0.750785 0.431023 ] [ 0.251094 0.249215 0.568977 ] [ 0.250631 0.248659 0.434152 ] [ 0.250631 0.751341 0.565848 ] [ 0.750631 0.251341 0.434152 ] [ 0.750631 0.748659 0.565848 ] [ 0.031007 0.451721 0.322305 ] [ 0.031007 0.548279 0.677695 ] [ 0.531007 0.048279 0.322305 ] [ 0.531007 0.951721 0.677695 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Pr" "Pr" "Pr" "Pr" "Ga" "Ga" "Ga" "Ga" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.47978628061 "source-unit" "angstrom" } "b" { "source-value" 5.60804074465 "source-unit" "angstrom" } "c" { "source-value" 23.3212104963 "source-unit" "angstrom" } }