{ "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" [ [ 0.804384 0.82726 0.97308 ] [ 0.695616 0.32726 0.52692 ] [ 0.304384 0.67274 0.47308 ] [ 0.195616 0.17274 0.02692 ] [ 0.813461 0.594325 0.710301 ] [ 0.686539 0.094325 0.789699 ] [ 0.313461 0.905675 0.210301 ] [ 0.186539 0.405675 0.289699 ] [ 0.891157 0.369322 0.317953 ] [ 0.844701 0.150553 0.959313 ] [ 0.775549 0.155248 0.601499 ] [ 0.723634 0.941068 0.775484 ] [ 0.776366 0.441068 0.724516 ] [ 0.724451 0.655248 0.898501 ] [ 0.655299 0.650553 0.540687 ] [ 0.608843 0.869322 0.182047 ] [ 0.391157 0.130678 0.817953 ] [ 0.344701 0.349447 0.459313 ] [ 0.275549 0.344752 0.101499 ] [ 0.223634 0.558932 0.275484 ] [ 0.276366 0.058932 0.224516 ] [ 0.224451 0.844752 0.398501 ] [ 0.155299 0.849447 0.040687 ] [ 0.108843 0.630678 0.682047 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 5.05174159649 "source-unit" "angstrom" } "b" { "source-value" 10.02987406 "source-unit" "angstrom" } "c" { "source-value" 7.15489115035 "source-unit" "angstrom" } "beta" { "source-value" 90.7018248003 "source-unit" "degree" } }