{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.467562 0.75 0.223642 ] [ 0.532438 0.25 0.776358 ] [ 0.940723 0.25 0.27693 ] [ 0.059277 0.75 0.72307 ] [ 0.415452 0.25 0.092886 ] [ 0.905917 0.75 0.402366 ] [ 0.094083 0.25 0.597634 ] [ 0.584548 0.75 0.907114 ] [ 0.676488 0.75 0.055473 ] [ 0.730895 0.25 0.106757 ] [ 0.279449 0.039699 0.167248 ] [ 0.279449 0.460301 0.167248 ] [ 0.744879 0.951557 0.326552 ] [ 0.744879 0.548443 0.326552 ] [ 0.218049 0.75 0.375569 ] [ 0.149605 0.25 0.449207 ] [ 0.850395 0.75 0.550793 ] [ 0.781951 0.25 0.624431 ] [ 0.255121 0.048443 0.673448 ] [ 0.255121 0.451557 0.673448 ] [ 0.720551 0.539699 0.832752 ] [ 0.720551 0.960301 0.832752 ] [ 0.269105 0.75 0.893243 ] [ 0.323512 0.25 0.944527 ] ] } "species" { "source-value" [ "Cr" "Cr" "Ni" "Ni" "P" "P" "P" "P" "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" 4.79426328 "source-unit" "angstrom" } "b" { "source-value" 5.80755593 "source-unit" "angstrom" } "c" { "source-value" 9.96060513 "source-unit" "angstrom" } "beta" { "source-value" 91.01767338 "source-unit" "degree" } }