{ "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 0.64562 0.047523 ] [ 0.25 0.277912 0.206035 ] [ 0.25 0.551004 0.154592 ] [ 0.25 0.564693 0.449224 ] [ 0.75 0.448996 0.845408 ] [ 0.25 0.119106 0.813874 ] [ 0.75 0.935307 0.949224 ] [ 0.75 0.14562 0.452477 ] [ 0.25 0.064693 0.050776 ] [ 0.25 0.85438 0.547523 ] [ 0.25 0.051004 0.345408 ] [ 0.75 0.722088 0.793965 ] [ 0.75 0.380894 0.313874 ] [ 0.75 0.948996 0.654592 ] [ 0.25 0.35438 0.952477 ] [ 0.25 0.777912 0.293965 ] [ 0.75 0.880894 0.186126 ] [ 0.25 0.619106 0.686126 ] [ 0.75 0.435307 0.550776 ] [ 0.75 0.222088 0.706035 ] [ 0.25 0.260821 0.568506 ] [ 0.75 0.739179 0.431494 ] [ 0.75 0.239179 0.068506 ] [ 0.25 0.760821 0.931494 ] [ 0.75 0.898765 0.411459 ] [ 0.75 0.134026 0.181326 ] [ 0.25 0.101235 0.588541 ] [ 0.25 0.601235 0.911459 ] [ 0.25 0.310009 0.428326 ] [ 0.25 0.365974 0.681326 ] [ 0.75 0.689991 0.571674 ] [ 0.75 0.398765 0.088541 ] [ 0.75 0.634026 0.318674 ] [ 0.25 0.810009 0.071674 ] [ 0.25 0.865974 0.818674 ] [ 0.75 0.189991 0.928326 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ge" "Ge" "Ge" "Ge" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.12250766 "source-unit" "angstrom" } "b" { "source-value" 14.91493261 "source-unit" "angstrom" } "c" { "source-value" 16.31664772 "source-unit" "angstrom" } }