{ "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" [ [ 0.532501 0.699342 0.032416 ] [ 0.532501 0.800658 0.532416 ] [ 0.467499 0.199342 0.467584 ] [ 0.467499 0.300658 0.967584 ] [ 0.287268 0.731031 0.092848 ] [ 0.969505 0.944515 0.103126 ] [ 0.712732 0.231031 0.407152 ] [ 0.030495 0.444515 0.396874 ] [ 0.969505 0.555485 0.603126 ] [ 0.287268 0.768969 0.592848 ] [ 0.030495 0.055485 0.896874 ] [ 0.712732 0.268969 0.907152 ] [ 0.349755 0.029939 0.210104 ] [ 0.828943 0.17126 0.209632 ] [ 0.650245 0.529939 0.289896 ] [ 0.171057 0.67126 0.290368 ] [ 0.828943 0.32874 0.709632 ] [ 0.349755 0.470061 0.710104 ] [ 0.171057 0.82874 0.790368 ] [ 0.650245 0.970061 0.789896 ] [ 0.169148 0.467717 0.04839 ] [ 0.338493 0.356697 0.214798 ] [ 0.040428 0.203845 0.075923 ] [ 0.925321 0.476182 0.108743 ] [ 0.661507 0.856697 0.285202 ] [ 0.805241 0.911049 0.273462 ] [ 0.194759 0.411049 0.226538 ] [ 0.074679 0.976182 0.391257 ] [ 0.959572 0.703845 0.424077 ] [ 0.830852 0.967717 0.45161 ] [ 0.169148 0.032283 0.54839 ] [ 0.040428 0.296155 0.575923 ] [ 0.925321 0.023818 0.608743 ] [ 0.805241 0.588951 0.773462 ] [ 0.194759 0.088951 0.726538 ] [ 0.338493 0.143303 0.714798 ] [ 0.074679 0.523818 0.891257 ] [ 0.959572 0.796155 0.924077 ] [ 0.661507 0.643303 0.785202 ] [ 0.830852 0.532283 0.95161 ] [ 0.262882 0.103524 0.06958 ] [ 0.836679 0.455995 0.010356 ] [ 0.21302 0.354986 0.169206 ] [ 0.697018 0.226433 0.059128 ] [ 0.942395 0.143429 0.00702 ] [ 0.275863 0.656984 0.235369 ] [ 0.514089 0.623367 0.168469 ] [ 0.434182 0.891643 0.210723 ] [ 0.565818 0.391643 0.289277 ] [ 0.485911 0.123367 0.331531 ] [ 0.888059 0.020756 0.206131 ] [ 0.724137 0.156984 0.264631 ] [ 0.009651 0.761273 0.202853 ] [ 0.782558 0.496026 0.263134 ] [ 0.78698 0.854986 0.330794 ] [ 0.217442 0.996026 0.236866 ] [ 0.990349 0.261273 0.297147 ] [ 0.111941 0.520756 0.293869 ] [ 0.737118 0.603524 0.43042 ] [ 0.836679 0.044005 0.510356 ] [ 0.697018 0.273567 0.559128 ] [ 0.942395 0.356571 0.50702 ] [ 0.057605 0.643429 0.49298 ] [ 0.302982 0.726433 0.440872 ] [ 0.163321 0.955995 0.489644 ] [ 0.262882 0.396476 0.56958 ] [ 0.888059 0.479244 0.706131 ] [ 0.009651 0.738727 0.702853 ] [ 0.782558 0.003974 0.763134 ] [ 0.21302 0.145014 0.669206 ] [ 0.217442 0.503974 0.736866 ] [ 0.990349 0.238727 0.797147 ] [ 0.275863 0.843016 0.735369 ] [ 0.111941 0.979244 0.793869 ] [ 0.514089 0.876633 0.668469 ] [ 0.434182 0.608357 0.710723 ] [ 0.565818 0.108357 0.789277 ] [ 0.485911 0.376633 0.831531 ] [ 0.724137 0.343016 0.764631 ] [ 0.057605 0.856571 0.99298 ] [ 0.302982 0.773567 0.940872 ] [ 0.78698 0.645014 0.830794 ] [ 0.163321 0.544005 0.989644 ] [ 0.737118 0.896476 0.93042 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "P" "P" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 9.78668327 "source-unit" "angstrom" } "b" { "source-value" 9.65278368 "source-unit" "angstrom" } "c" { "source-value" 12.30655495 "source-unit" "angstrom" } "beta" { "source-value" 127.81875442 "source-unit" "degree" } }