{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.212318 0.000081 0.000555 ] [ 0.081285 0.185132 0.481725 ] [ 0.583952 0.181953 0.47431 ] [ 0.322877 0.517282 0.184992 ] [ 0.820485 0.52673 0.181834 ] [ 0.175066 0.48185 0.815235 ] [ 0.673963 0.474007 0.817806 ] [ 0.415411 0.815532 0.516841 ] [ 0.91115 0.817438 0.527112 ] [ 0.395044 0.044651 0.353212 ] [ 0.901262 0.04361 0.354906 ] [ 0.079592 0.374395 0.293785 ] [ 0.581189 0.377621 0.296213 ] [ 0.077572 0.647288 0.044087 ] [ 0.572465 0.644594 0.043965 ] [ 0.269193 0.294494 0.625466 ] [ 0.767296 0.295191 0.622732 ] [ 0.226414 0.70611 0.374608 ] [ 0.729856 0.704197 0.377006 ] [ 0.417378 0.353219 0.956128 ] [ 0.92322 0.354722 0.955853 ] [ 0.416143 0.625895 0.705205 ] [ 0.915594 0.622185 0.704782 ] [ 0.594447 0.955984 0.644285 ] [ 0.099405 0.955838 0.647357 ] ] } "species" { "source-value" [ "Ba" "V" "V" "V" "V" "V" "V" "V" "V" "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" 5.78019316 "source-unit" "angstrom" } "b" { "source-value" 7.39737302 "source-unit" "angstrom" } "c" { "source-value" 7.40060873 "source-unit" "angstrom" } "alpha" { "source-value" 87.808787 "source-unit" "degree" } "beta" { "source-value" 78.72888751 "source-unit" "degree" } "gamma" { "source-value" 78.74644815 "source-unit" "degree" } }