{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.753608 0.654529 ] [ 0.25 0.246392 0.345471 ] [ 0.75 0.253608 0.845471 ] [ 0.25 0.746392 0.154529 ] [ 0.75 0.934449 0.886571 ] [ 0.25 0.065551 0.113429 ] [ 0.75 0.434449 0.613429 ] [ 0.25 0.565551 0.386571 ] [ 0.75 0.917013 0.395696 ] [ 0.25 0.082987 0.604304 ] [ 0.75 0.417013 0.104304 ] [ 0.25 0.582987 0.895696 ] [ 0.75 0.703679 0.330274 ] [ 0.25 0.296321 0.669726 ] [ 0.75 0.203679 0.169726 ] [ 0.25 0.796321 0.830274 ] [ 0.75 0.619846 0.020734 ] [ 0.25 0.380154 0.979266 ] [ 0.75 0.119846 0.479266 ] [ 0.25 0.880154 0.520734 ] [ 0.75 0.525563 0.783508 ] [ 0.25 0.474437 0.216492 ] [ 0.75 0.025563 0.716492 ] [ 0.25 0.974437 0.283508 ] [ 0.75 0.918845 0.072395 ] [ 0.25 0.081155 0.927605 ] [ 0.75 0.418845 0.427605 ] [ 0.25 0.581155 0.572395 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "V" "V" "V" "V" "V" "V" "V" "V" "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" 3.05306202 "source-unit" "angstrom" } "b" { "source-value" 9.43433734 "source-unit" "angstrom" } "c" { "source-value" 10.82880685 "source-unit" "angstrom" } }