{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.367966 0.974299 0.116235 ] [ 0.632034 0.474299 0.383765 ] [ 0.871634 0.028613 0.619084 ] [ 0.128366 0.528613 0.880916 ] [ 0.871634 0.471387 0.119084 ] [ 0.128366 0.971387 0.380916 ] [ 0.367966 0.525701 0.616235 ] [ 0.632034 0.025701 0.883765 ] [ 0.542584 0.751383 0.509849 ] [ 0.255355 0.618093 0.147561 ] [ 0.97047 0.887923 0.858355 ] [ 0.744645 0.118093 0.352439 ] [ 0.02953 0.387923 0.641645 ] [ 0.457416 0.251383 0.990151 ] [ 0.542584 0.748617 0.009849 ] [ 0.97047 0.612077 0.358355 ] [ 0.255355 0.881907 0.647561 ] [ 0.02953 0.112077 0.141645 ] [ 0.744645 0.381907 0.852439 ] [ 0.457416 0.248617 0.490151 ] [ 0.636947 0.12424 0.556967 ] [ 0.182388 0.107737 0.101023 ] [ 0.462267 0.340814 0.386978 ] [ 0.89667 0.429863 0.817604 ] [ 0.51475 0.627556 0.41202 ] [ 0.280083 0.81192 0.15528 ] [ 0.159088 0.564879 0.015196 ] [ 0.886698 0.005503 0.74895 ] [ 0.992588 0.709437 0.824851 ] [ 0.754787 0.840818 0.570076 ] [ 0.468866 0.526363 0.233096 ] [ 0.531134 0.026363 0.266904 ] [ 0.195778 0.942153 0.964008 ] [ 0.804222 0.442153 0.535992 ] [ 0.245213 0.340818 0.929924 ] [ 0.007412 0.209437 0.675149 ] [ 0.840912 0.064879 0.484804 ] [ 0.113302 0.505503 0.75105 ] [ 0.719917 0.31192 0.34472 ] [ 0.48525 0.127556 0.08798 ] [ 0.537733 0.840814 0.113022 ] [ 0.817612 0.607737 0.398977 ] [ 0.10333 0.929863 0.682396 ] [ 0.363053 0.62424 0.943033 ] [ 0.636947 0.37576 0.056967 ] [ 0.89667 0.070137 0.317604 ] [ 0.182388 0.392263 0.601023 ] [ 0.462267 0.159186 0.886978 ] [ 0.51475 0.872444 0.91202 ] [ 0.280083 0.68808 0.65528 ] [ 0.886698 0.494497 0.24895 ] [ 0.159088 0.935121 0.515196 ] [ 0.992588 0.790563 0.324851 ] [ 0.754787 0.659182 0.070076 ] [ 0.195778 0.557847 0.464008 ] [ 0.804222 0.057847 0.035992 ] [ 0.468866 0.973637 0.733096 ] [ 0.531134 0.473637 0.766904 ] [ 0.245213 0.159182 0.429924 ] [ 0.007412 0.290563 0.175149 ] [ 0.113302 0.994497 0.25105 ] [ 0.840912 0.435121 0.984804 ] [ 0.719917 0.18808 0.84472 ] [ 0.48525 0.372444 0.58798 ] [ 0.10333 0.570137 0.182396 ] [ 0.537733 0.659186 0.613022 ] [ 0.817612 0.892263 0.898977 ] [ 0.363053 0.87576 0.443033 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.73193188 "source-unit" "angstrom" } "b" { "source-value" 9.01217085 "source-unit" "angstrom" } "c" { "source-value" 14.98451592 "source-unit" "angstrom" } "beta" { "source-value" 124.98919081 "source-unit" "degree" } }