{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.630282 0.717392 0.979026 ] [ 0.375398 0.00085 0.752395 ] [ 0.875398 0.50085 0.747605 ] [ 0.365129 0.742454 0.490299 ] [ 0.369718 0.217392 0.020974 ] [ 0.134871 0.742454 0.990299 ] [ 0.865129 0.242454 0.009701 ] [ 0.130282 0.217392 0.520974 ] [ 0.869718 0.717392 0.479026 ] [ 0.124602 0.00085 0.252395 ] [ 0.634871 0.242454 0.509701 ] [ 0.624602 0.50085 0.247605 ] [ 0.872842 0.920434 0.774624 ] [ 0.627158 0.920434 0.274624 ] [ 0.372842 0.420434 0.725376 ] [ 0.127158 0.420434 0.225376 ] [ 0.798753 0.013359 0.364987 ] [ 0.800261 0.898779 0.162817 ] [ 0.454139 0.90489 0.162491 ] [ 0.953179 0.512492 0.135569 ] [ 0.046821 0.012492 0.864431 ] [ 0.699739 0.898779 0.662817 ] [ 0.199739 0.398779 0.837183 ] [ 0.129613 0.631437 0.293858 ] [ 0.546821 0.512492 0.635569 ] [ 0.701247 0.013359 0.864987 ] [ 0.298753 0.513359 0.135013 ] [ 0.045861 0.90489 0.662491 ] [ 0.300261 0.398779 0.337183 ] [ 0.370387 0.631437 0.793858 ] [ 0.870387 0.131437 0.706142 ] [ 0.954139 0.40489 0.337509 ] [ 0.545861 0.40489 0.837509 ] [ 0.201247 0.513359 0.635013 ] [ 0.453179 0.012492 0.364431 ] [ 0.629613 0.131437 0.206142 ] [ 0.630216 0.236167 0.165007 ] [ 0.369784 0.736167 0.834993 ] [ 0.64499 0.558513 0.585747 ] [ 0.85501 0.558513 0.085747 ] [ 0.130216 0.736167 0.334993 ] [ 0.896479 0.06074 0.414583 ] [ 0.869784 0.236167 0.665007 ] [ 0.644393 0.400478 0.897238 ] [ 0.601531 0.887381 0.603364 ] [ 0.603521 0.06074 0.914583 ] [ 0.103521 0.56074 0.585417 ] [ 0.101531 0.387381 0.896636 ] [ 0.35501 0.058513 0.414253 ] [ 0.898469 0.887381 0.103364 ] [ 0.396479 0.56074 0.085417 ] [ 0.855607 0.400478 0.397238 ] [ 0.144393 0.900478 0.602762 ] [ 0.14499 0.058513 0.914253 ] [ 0.355607 0.900478 0.102762 ] [ 0.398469 0.387381 0.396636 ] [ 0.869655 0.765633 0.825734 ] [ 0.130345 0.265633 0.174266 ] [ 0.630345 0.765633 0.325734 ] [ 0.369655 0.265633 0.674266 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "V" "V" "V" "V" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 8.61473663 "source-unit" "angstrom" } "b" { "source-value" 9.88744951 "source-unit" "angstrom" } "c" { "source-value" 13.55932883 "source-unit" "angstrom" } }