{ "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" [ [ 0.33375 0.341489 0.162376 ] [ 0.338111 0.339671 0.667565 ] [ 0.663967 0.668088 0.340115 ] [ 0.654797 0.663182 0.832294 ] [ 0.999671 0.00259 0.500018 ] [ 0.008679 0.988133 0.99956 ] [ 0.562258 0.567661 0.630791 ] [ 0.304484 0.692973 0.997711 ] [ 0.361883 0.975208 0.329615 ] [ 0.025784 0.639329 0.67035 ] [ 0.10533 0.104936 0.699944 ] [ 0.433933 0.435534 0.368273 ] [ 0.763453 0.762203 0.038107 ] [ 0.900153 0.898886 0.298402 ] [ 0.232836 0.230364 0.96489 ] [ 0.637794 0.030889 0.666975 ] [ 0.969196 0.364587 0.333686 ] [ 0.703924 0.294278 0.999327 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "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" 5.62720743 "source-unit" "angstrom" } "b" { "source-value" 5.63391094 "source-unit" "angstrom" } "c" { "source-value" 7.33416936 "source-unit" "angstrom" } "alpha" { "source-value" 72.33622135 "source-unit" "degree" } "beta" { "source-value" 72.33036587 "source-unit" "degree" } "gamma" { "source-value" 72.39749881 "source-unit" "degree" } }