{ "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" [ [ 0.5 0.5 0 ] [ 0.209382 0.122624 0.834035 ] [ 0.5 0.5 0.5 ] [ 0.173509 0.167681 0.32965 ] [ 0.826491 0.832319 0.67035 ] [ 0.790618 0.877376 0.165965 ] [ 0.063857 0.066836 0.127544 ] [ 0.395378 0.391924 0.800773 ] [ 0.734411 0.737649 0.4614 ] [ 0.936143 0.933164 0.872456 ] [ 0.604622 0.608076 0.199227 ] [ 0.265589 0.262351 0.5386 ] [ 0.468179 0.862716 0.832992 ] [ 0.531821 0.137284 0.167008 ] [ 0.865261 0.466443 0.830688 ] [ 0.19371 0.803229 0.502229 ] [ 0.134739 0.533557 0.169312 ] [ 0.80629 0.196771 0.497771 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.61788214 "source-unit" "angstrom" } "b" { "source-value" 5.61748266 "source-unit" "angstrom" } "c" { "source-value" 7.11070834 "source-unit" "angstrom" } "alpha" { "source-value" 73.53311598 "source-unit" "degree" } "beta" { "source-value" 73.50294684 "source-unit" "degree" } "gamma" { "source-value" 76.0843738 "source-unit" "degree" } }