{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.557973 0.187102 0.277951 ] [ 0.442027 0.812898 0.722049 ] [ 0.04675 0.265801 0.832808 ] [ 0.95325 0.734199 0.167192 ] [ 0.982696 0.759878 0.719459 ] [ 0.017304 0.240122 0.280541 ] [ 0.479549 0.27381 0.765574 ] [ 0.520451 0.72619 0.234426 ] [ 0.425589 0.46072 0.750375 ] [ 0.574411 0.53928 0.249625 ] [ 0.910441 0.355215 0.131637 ] [ 0.089559 0.644785 0.868363 ] [ 0.044971 0.776353 0.535297 ] [ 0.955029 0.223647 0.464703 ] [ 0.848778 0.868582 0.784984 ] [ 0.151222 0.131418 0.215016 ] [ 0.384257 0.796713 0.337878 ] [ 0.615743 0.203287 0.662122 ] [ 0.372447 0.128422 0.886423 ] [ 0.627553 0.871578 0.113577 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "B" "B" "B" "B" "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" 6.31728052 "source-unit" "angstrom" } "b" { "source-value" 6.52483539 "source-unit" "angstrom" } "c" { "source-value" 6.53210137 "source-unit" "angstrom" } "alpha" { "source-value" 93.10964231 "source-unit" "degree" } "beta" { "source-value" 106.2215426 "source-unit" "degree" } "gamma" { "source-value" 107.02961938 "source-unit" "degree" } }