{ "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" [ [ 0.499059 0.75 0.167428 ] [ 0.500941 0.25 0.832572 ] [ 0.058557 0.25 0.482496 ] [ 0.973938 0.124019 0.155421 ] [ 0.026062 0.624019 0.844579 ] [ 0.941443 0.75 0.517504 ] [ 0.026062 0.875981 0.844579 ] [ 0.973938 0.375981 0.155421 ] [ 0.136306 0.065789 0.347415 ] [ 0.136306 0.434211 0.347415 ] [ 0.340563 0.75 0.774303 ] [ 0.659437 0.25 0.225697 ] [ 0.863694 0.565789 0.652585 ] [ 0.314275 0.75 0.557313 ] [ 0.863694 0.934211 0.652585 ] [ 0.685725 0.25 0.442687 ] [ 0.277003 0.75 0.282801 ] [ 0.351904 0.615226 0.070641 ] [ 0.361094 0.386628 0.735469 ] [ 0.717702 0.75 0.051434 ] [ 0.361094 0.113372 0.735469 ] [ 0.282298 0.25 0.948566 ] [ 0.648096 0.115226 0.929359 ] [ 0.638906 0.613372 0.264531 ] [ 0.638906 0.886628 0.264531 ] [ 0.351904 0.884774 0.070641 ] [ 0.648096 0.384774 0.929359 ] [ 0.722997 0.25 0.717199 ] ] } "species" { "source-value" [ "Sb" "Sb" "As" "As" "As" "As" "As" "As" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.45269654674 "source-unit" "angstrom" } "b" { "source-value" 9.97960307 "source-unit" "angstrom" } "c" { "source-value" 10.7732453357 "source-unit" "angstrom" } "beta" { "source-value" 92.3585088016 "source-unit" "degree" } }