{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.795331 0.749173 0.909128 ] [ 0.204669 0.249173 0.090872 ] [ 0.204386 0.753515 0.735178 ] [ 0.795614 0.253515 0.264822 ] [ 0.487161 0.481525 0.493612 ] [ 0.512839 0.981525 0.506388 ] [ 0.084407 0.750036 0.308019 ] [ 0.915593 0.250036 0.691981 ] [ 0.488959 0.749837 0.182757 ] [ 0.511041 0.249837 0.817243 ] [ 0.526698 0.997004 0.299188 ] [ 0.473302 0.497004 0.700812 ] [ 0.012852 0.982352 0.190409 ] [ 0.987148 0.482352 0.809591 ] [ 0.987716 0.746027 0.431457 ] [ 0.012284 0.246027 0.568543 ] [ 0.622015 0.748645 0.090372 ] [ 0.377985 0.248645 0.909628 ] [ 0.280316 0.750219 0.049545 ] [ 0.719684 0.250219 0.950455 ] [ 0.678655 0.24693 0.579305 ] [ 0.321345 0.74693 0.420695 ] [ 0.473319 0.002269 0.701088 ] [ 0.526681 0.502269 0.298912 ] [ 0.012611 0.520532 0.18734 ] [ 0.650061 0.751073 0.573744 ] [ 0.987389 0.020532 0.81266 ] [ 0.349939 0.251073 0.426256 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "V" "V" "V" "V" "V" "V" "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" 8.56249924447 "source-unit" "angstrom" } "b" { "source-value" 5.95077743 "source-unit" "angstrom" } "c" { "source-value" 9.49945063676 "source-unit" "angstrom" } "beta" { "source-value" 114.449910952 "source-unit" "degree" } }