{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.015466 0.202169 0 ] [ 0.515466 0.797831 0.5 ] [ 0.516614 0.16866 0.748956 ] [ 0.016614 0.83134 0.751044 ] [ 0.516614 0.16866 0.251044 ] [ 0.016614 0.83134 0.248956 ] [ 0.031455 0.324283 0.628585 ] [ 0.531455 0.675717 0.871415 ] [ 0.531455 0.675717 0.128585 ] [ 0.031455 0.324283 0.371415 ] [ 0.419589 0.771928 0 ] [ 0.919589 0.228072 0.5 ] [ 0.369177 0.265696 0.366609 ] [ 0.869177 0.734304 0.133391 ] [ 0.369177 0.265696 0.633391 ] [ 0.869177 0.734304 0.866609 ] [ 0.964712 0.643783 0.359589 ] [ 0.464712 0.356217 0.140411 ] [ 0.464712 0.356217 0.859589 ] [ 0.964712 0.643783 0.640411 ] [ 0.365716 0.868397 0.221528 ] [ 0.865716 0.131603 0.278472 ] [ 0.865716 0.131603 0.721528 ] [ 0.365716 0.868397 0.778472 ] ] } "species" { "source-value" [ "Ba" "Ba" "Be" "Be" "Be" "Be" "Si" "Si" "Si" "Si" "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" 4.73231301 "source-unit" "angstrom" } "b" { "source-value" 4.97227458 "source-unit" "angstrom" } "c" { "source-value" 11.80275433 "source-unit" "angstrom" } }