{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.722051 0.181078 0.329265 ] [ 0.722051 0.818922 0.329265 ] [ 0.349772 0.885787 0.666179 ] [ 0.349772 0.114213 0.666179 ] [ 0.222051 0.681078 0.329265 ] [ 0.222051 0.318922 0.329265 ] [ 0.849772 0.385787 0.666179 ] [ 0.849772 0.614213 0.666179 ] [ 0.995597 0 0.998966 ] [ 0.495597 0.5 0.998966 ] [ 0.038614 0.803844 0.91111 ] [ 0.038614 0.196156 0.91111 ] [ 0.610083 0 0.290215 ] [ 0.538614 0.303844 0.91111 ] [ 0.538614 0.696156 0.91111 ] [ 0.110083 0.5 0.290215 ] [ 0.528698 0.228817 0.726996 ] [ 0.896723 0.148243 0.903838 ] [ 0.528698 0.771183 0.726996 ] [ 0.191881 0.169423 0.108493 ] [ 0.191881 0.830577 0.108493 ] [ 0.173686 0 0.582112 ] [ 0.525345 0.074484 0.242907 ] [ 0.525345 0.925516 0.242907 ] [ 0.783166 0 0.385533 ] [ 0.896723 0.851757 0.903838 ] [ 0.028698 0.728817 0.726996 ] [ 0.396723 0.648243 0.903838 ] [ 0.028698 0.271183 0.726996 ] [ 0.691881 0.669423 0.108493 ] [ 0.691881 0.330577 0.108493 ] [ 0.673686 0.5 0.582112 ] [ 0.025345 0.574484 0.242907 ] [ 0.025345 0.425516 0.242907 ] [ 0.283166 0.5 0.385533 ] [ 0.396723 0.351757 0.903838 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "La" "La" "B" "B" "B" "B" "B" "B" "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" 8.2107555362 "source-unit" "angstrom" } "b" { "source-value" 16.2299311743 "source-unit" "angstrom" } "c" { "source-value" 3.65555449644 "source-unit" "angstrom" } "beta" { "source-value" 101.407042119 "source-unit" "degree" } }