{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.149991 0.25 ] [ 0 0.850009 0.75 ] [ 0.5 0.649991 0.25 ] [ 0.5 0.350009 0.75 ] [ 0.86785 0.162446 0.318169 ] [ 0.082018 0.700736 0.910251 ] [ 0.917982 0.700736 0.589749 ] [ 0.917982 0.299264 0.089749 ] [ 0.13215 0.162446 0.181831 ] [ 0.86785 0.837554 0.818169 ] [ 0.13215 0.837554 0.681831 ] [ 0.082018 0.299264 0.410251 ] [ 0.36785 0.662446 0.318169 ] [ 0.582018 0.200736 0.910251 ] [ 0.417982 0.200736 0.589749 ] [ 0.417982 0.799264 0.089749 ] [ 0.63215 0.662446 0.181831 ] [ 0.36785 0.337554 0.818169 ] [ 0.63215 0.337554 0.681831 ] [ 0.582018 0.799264 0.410251 ] [ 0 0.101594 0.75 ] [ 0 0.898406 0.25 ] [ 0.5 0.601594 0.75 ] [ 0.5 0.398406 0.25 ] [ 0 0.2768 0.75 ] [ 0.134727 0.384971 0.516274 ] [ 0.786412 0.839755 0.8624 ] [ 0.213588 0.160245 0.1376 ] [ 0.865273 0.384971 0.983726 ] [ 0.786412 0.160245 0.3624 ] [ 0.213588 0.839755 0.6376 ] [ 0.134727 0.615029 0.016274 ] [ 0 0.7232 0.25 ] [ 0.865273 0.615029 0.483726 ] [ 0.5 0.7768 0.75 ] [ 0.634727 0.884971 0.516274 ] [ 0.286412 0.339755 0.8624 ] [ 0.713588 0.660245 0.1376 ] [ 0.365273 0.884971 0.983726 ] [ 0.286412 0.660245 0.3624 ] [ 0.713588 0.339755 0.6376 ] [ 0.634727 0.115029 0.016274 ] [ 0.5 0.2232 0.25 ] [ 0.365273 0.115029 0.483726 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "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" 11.7376963083 "source-unit" "angstrom" } "b" { "source-value" 6.72588082 "source-unit" "angstrom" } "c" { "source-value" 9.55501310577 "source-unit" "angstrom" } "beta" { "source-value" 108.02311603 "source-unit" "degree" } }