{ "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 0.5 0 ] [ 0.694793 0.015559 0.100046 ] [ 0.305207 0.984441 0.899954 ] [ 0.09916 0.955053 0.324771 ] [ 0.90084 0.044947 0.675229 ] [ 0.056482 0.794243 0.146317 ] [ 0.336796 0.208217 0.044406 ] [ 0.081242 0.214504 0.456085 ] [ 0.196135 0.782644 0.783578 ] [ 0.451312 0.828126 0.320274 ] [ 0.548688 0.171874 0.679726 ] [ 0.803865 0.217356 0.216422 ] [ 0.918758 0.785496 0.543915 ] [ 0.663204 0.791783 0.955594 ] [ 0.943518 0.205757 0.853683 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "V" "V" "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" 5.04660709 "source-unit" "angstrom" } "b" { "source-value" 5.46579377 "source-unit" "angstrom" } "c" { "source-value" 7.72907211 "source-unit" "angstrom" } "alpha" { "source-value" 70.12198998 "source-unit" "degree" } "beta" { "source-value" 73.10317279 "source-unit" "degree" } "gamma" { "source-value" 76.72616015 "source-unit" "degree" } }