{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.945743 0.850773 0.096952 ] [ 0.945743 0.850773 0.403048 ] [ 0.848035 0.174654 0.25 ] [ 0.651965 0.674654 0.75 ] [ 0.554257 0.350773 0.903048 ] [ 0.554257 0.350773 0.596952 ] [ 0.445743 0.649227 0.096952 ] [ 0.445743 0.649227 0.403048 ] [ 0.348035 0.325346 0.25 ] [ 0.151965 0.825346 0.75 ] [ 0.054257 0.149227 0.596952 ] [ 0.054257 0.149227 0.903048 ] [ 0.9409 0.513266 0.122518 ] [ 0.9409 0.513266 0.377482 ] [ 0.5591 0.013266 0.877482 ] [ 0.5591 0.013266 0.622518 ] [ 0.4409 0.986734 0.122518 ] [ 0.4409 0.986734 0.377482 ] [ 0.0591 0.486734 0.622518 ] [ 0.0591 0.486734 0.877482 ] [ 0.890432 0.358658 0.75 ] [ 0.809289 0.603726 0.533194 ] [ 0.809289 0.603726 0.966806 ] [ 0.778908 0.9351 0.75 ] [ 0.721092 0.4351 0.25 ] [ 0.690711 0.103726 0.033194 ] [ 0.690711 0.103726 0.466806 ] [ 0.609568 0.858658 0.25 ] [ 0.390431 0.141342 0.75 ] [ 0.309289 0.896274 0.533194 ] [ 0.309289 0.896274 0.966806 ] [ 0.278908 0.5649 0.75 ] [ 0.221092 0.0649 0.25 ] [ 0.190711 0.396274 0.033194 ] [ 0.190711 0.396274 0.466806 ] [ 0.109568 0.641342 0.25 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.55173636 "source-unit" "angstrom" } "b" { "source-value" 8.60744086 "source-unit" "angstrom" } "c" { "source-value" 10.06851323 "source-unit" "angstrom" } }