{ "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 0.5 0.5 ] [ 0.139512 0.669943 0.883348 ] [ 0 0 0 ] [ 0.139512 0.830057 0.383348 ] [ 0.860488 0.169943 0.616652 ] [ 0.860488 0.330057 0.116652 ] [ 0.078336 0.272395 0.871118 ] [ 0.078336 0.227605 0.371118 ] [ 0.209077 0.051923 0.753263 ] [ 0.257795 0.384557 0.702657 ] [ 0.209077 0.448077 0.253263 ] [ 0.354767 0.607265 0.640716 ] [ 0.375882 0.945523 0.573631 ] [ 0.499939 0.782247 0.957229 ] [ 0.257795 0.115443 0.202657 ] [ 0.354767 0.892735 0.140716 ] [ 0.500061 0.282247 0.542771 ] [ 0.375882 0.554477 0.073631 ] [ 0.624118 0.445523 0.926369 ] [ 0.499939 0.717753 0.457229 ] [ 0.645233 0.107265 0.859284 ] [ 0.742205 0.884557 0.797343 ] [ 0.500061 0.217753 0.042771 ] [ 0.624118 0.054477 0.426369 ] [ 0.645233 0.392735 0.359284 ] [ 0.790923 0.551923 0.746737 ] [ 0.742205 0.615443 0.297343 ] [ 0.790923 0.948077 0.246737 ] [ 0.921664 0.772395 0.628882 ] [ 0.921664 0.727605 0.128882 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.79180993 "source-unit" "angstrom" } "b" { "source-value" 14.02001819 "source-unit" "angstrom" } "c" { "source-value" 7.0114245 "source-unit" "angstrom" } "beta" { "source-value" 101.59044514 "source-unit" "degree" } }