{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.819713 0.92133 0.940125 ] [ 0.319713 0.07867 0.559875 ] [ 0.680287 0.42133 0.059875 ] [ 0.180287 0.57867 0.440125 ] [ 0.180287 0.07867 0.059875 ] [ 0.680287 0.92133 0.440125 ] [ 0.319713 0.57867 0.940125 ] [ 0.819713 0.42133 0.559875 ] [ 0.987896 0.803215 0.565291 ] [ 0.487896 0.196785 0.934709 ] [ 0.512104 0.303215 0.434709 ] [ 0.012104 0.696785 0.065291 ] [ 0.012104 0.196785 0.434709 ] [ 0.512104 0.803215 0.065291 ] [ 0.487896 0.696785 0.565291 ] [ 0.987896 0.303215 0.934709 ] [ 0.984257 0.802929 0.322271 ] [ 0.484257 0.197071 0.177729 ] [ 0.515743 0.302929 0.677729 ] [ 0.015743 0.697071 0.822271 ] [ 0.015743 0.197071 0.677729 ] [ 0.515743 0.802929 0.822271 ] [ 0.484257 0.697071 0.322271 ] [ 0.984257 0.302929 0.177729 ] [ 0.684482 0.938614 0.680966 ] [ 0.184482 0.061386 0.819034 ] [ 0.815518 0.438614 0.319034 ] [ 0.315518 0.561386 0.180966 ] [ 0.315518 0.061386 0.319034 ] [ 0.815518 0.938614 0.180966 ] [ 0.184482 0.561386 0.680966 ] [ 0.684482 0.438614 0.819034 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 4.97655386 "source-unit" "angstrom" } "b" { "source-value" 5.86653245 "source-unit" "angstrom" } "c" { "source-value" 13.67547957 "source-unit" "angstrom" } }