{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.127504 0.150391 ] [ 0 0.872496 0.849609 ] [ 0 0.627504 0.349609 ] [ 0 0.372496 0.650391 ] [ 0 0.135043 0.411436 ] [ 0 0.864957 0.588564 ] [ 0 0.635043 0.088564 ] [ 0 0.364957 0.911436 ] [ 0.5 0.020597 0.694067 ] [ 0.5 0.979403 0.305933 ] [ 0.5 0.520597 0.805933 ] [ 0.5 0.479403 0.194067 ] [ 0.5 0.115853 0.549195 ] [ 0.5 0.884147 0.450805 ] [ 0.5 0.615853 0.950805 ] [ 0.5 0.384147 0.049195 ] [ 0.5 0.289603 0.313692 ] [ 0.5 0.710397 0.686308 ] [ 0.5 0.789603 0.186308 ] [ 0.5 0.210397 0.813692 ] [ 0.5 0.365886 0.467623 ] [ 0.5 0.634114 0.532377 ] [ 0.5 0.865886 0.032377 ] [ 0.5 0.134114 0.967623 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.2536744 "source-unit" "angstrom" } "b" { "source-value" 5.7850092 "source-unit" "angstrom" } "c" { "source-value" 11.22387154 "source-unit" "angstrom" } }