{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.720629 0.166953 0.107063 ] [ 0.220629 0.333047 0.892937 ] [ 0.279371 0.666953 0.392937 ] [ 0.779371 0.833047 0.607063 ] [ 0.990918 0.145929 0.423725 ] [ 0.257637 0.234957 0.202715 ] [ 0.757637 0.265043 0.797285 ] [ 0.490918 0.354071 0.576275 ] [ 0.009082 0.645929 0.076275 ] [ 0.742363 0.734957 0.297285 ] [ 0.242363 0.765043 0.702715 ] [ 0.509082 0.854071 0.923725 ] [ 0.086499 0.021872 0.330043 ] [ 0.035172 0.032336 0.155567 ] [ 0.520618 0.023761 0.199924 ] [ 0.394639 0.120292 0.97217 ] [ 0.891178 0.113287 0.880288 ] [ 0.762267 0.161046 0.553223 ] [ 0.262267 0.338954 0.446777 ] [ 0.391178 0.386713 0.119712 ] [ 0.894639 0.379708 0.02783 ] [ 0.020618 0.476239 0.800076 ] [ 0.535172 0.467664 0.844433 ] [ 0.586499 0.478128 0.669957 ] [ 0.913501 0.521872 0.169957 ] [ 0.964828 0.532336 0.344433 ] [ 0.479382 0.523761 0.300076 ] [ 0.605361 0.620292 0.52783 ] [ 0.108822 0.613287 0.619712 ] [ 0.237733 0.661046 0.946777 ] [ 0.737733 0.838954 0.053223 ] [ 0.608822 0.886713 0.380288 ] [ 0.105361 0.879708 0.47217 ] [ 0.979382 0.976239 0.699924 ] [ 0.464828 0.967664 0.655567 ] [ 0.413501 0.978128 0.830043 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "I" "I" "I" "I" "I" "I" "I" "I" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.43522932 "source-unit" "angstrom" } "b" { "source-value" 5.6141006 "source-unit" "angstrom" } "c" { "source-value" 17.86165832 "source-unit" "angstrom" } }