{ "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 0.079106 0.100595 ] [ 0.75 0.420894 0.600595 ] [ 0.25 0.579106 0.399405 ] [ 0.25 0.920894 0.899405 ] [ 0.25 0.401554 0.074416 ] [ 0.75 0.619558 0.208506 ] [ 0.75 0.880442 0.708506 ] [ 0.25 0.119558 0.291494 ] [ 0.75 0.598446 0.925584 ] [ 0.75 0.901554 0.425584 ] [ 0.25 0.098446 0.574416 ] [ 0.25 0.380442 0.791494 ] [ 0.25 0.807941 0.152163 ] [ 0.75 0.192059 0.847837 ] [ 0.75 0.307941 0.347837 ] [ 0.25 0.692059 0.652163 ] [ 0.25 0.421937 0.602642 ] [ 0.75 0.578063 0.397358 ] [ 0.75 0.921937 0.897358 ] [ 0.25 0.078063 0.102642 ] [ 0.00019 0.861934 0.27499 ] [ 0.50019 0.138066 0.72501 ] [ 0.99981 0.361934 0.22501 ] [ 0.49981 0.638066 0.77499 ] [ 0.99981 0.138066 0.72501 ] [ 0.49981 0.861934 0.27499 ] [ 0.00019 0.638066 0.77499 ] [ 0.50019 0.361934 0.22501 ] [ 0.497371 0.664692 0.06594 ] [ 0.997371 0.335308 0.93406 ] [ 0.502629 0.164692 0.43406 ] [ 0.002629 0.835308 0.56594 ] [ 0.997371 0.164692 0.43406 ] [ 0.497371 0.835308 0.56594 ] [ 0.502629 0.335308 0.93406 ] [ 0.002629 0.664692 0.06594 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Co" "Co" "Co" "Co" "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" 5.72195105 "source-unit" "angstrom" } "b" { "source-value" 7.08008161 "source-unit" "angstrom" } "c" { "source-value" 12.28913139 "source-unit" "angstrom" } }