{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.006186 0.501406 0.998941 ] [ 0.501375 0.998156 0.500646 ] [ 0.104985 0.242336 0.667497 ] [ 0.389585 0.246971 0.15757 ] [ 0.6089 0.750115 0.838979 ] [ 0.896622 0.75716 0.332628 ] [ 0.927845 0.966097 0.979716 ] [ 0.352371 0.392216 0.474432 ] [ 0.662571 0.621588 0.533187 ] [ 0.162858 0.842385 0.430608 ] [ 0.038071 0.301065 0.842784 ] [ 0.201368 0.394076 0.167106 ] [ 0.254069 0.422862 0.574728 ] [ 0.335482 0.660928 0.922315 ] [ 0.558717 0.79844 0.654712 ] [ 0.247868 0.074753 0.058713 ] [ 0.301534 0.103686 0.672301 ] [ 0.700956 0.897431 0.327532 ] [ 0.733386 0.932008 0.935867 ] [ 0.436452 0.193473 0.341061 ] [ 0.665171 0.340534 0.077888 ] [ 0.743046 0.579958 0.429039 ] [ 0.801715 0.609207 0.833125 ] [ 0.960561 0.698353 0.157731 ] [ 0.837186 0.156694 0.570996 ] ] } "species" { "source-value" [ "Cr" "Cr" "P" "P" "P" "P" "H" "H" "H" "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" 4.9266028 "source-unit" "angstrom" } "b" { "source-value" 7.38825918 "source-unit" "angstrom" } "c" { "source-value" 7.98963477 "source-unit" "angstrom" } "alpha" { "source-value" 90.39957662 "source-unit" "degree" } "beta" { "source-value" 90.46223109 "source-unit" "degree" } "gamma" { "source-value" 102.02774912 "source-unit" "degree" } }