{ "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" [ [ 0.182085 0.001968 0.589629 ] [ 0.317915 0.001968 0.089629 ] [ 0.317915 0.498032 0.089629 ] [ 0.182085 0.498032 0.589629 ] [ 0.682085 0.501968 0.910371 ] [ 0.817915 0.501968 0.410371 ] [ 0.817915 0.998032 0.410371 ] [ 0.682085 0.998032 0.910371 ] [ 0.192734 0.25 0.851384 ] [ 0.307266 0.25 0.351384 ] [ 0.692734 0.75 0.648616 ] [ 0.807266 0.75 0.148616 ] [ 0.669168 0.25 0.667627 ] [ 0.830832 0.25 0.167627 ] [ 0.330832 0.75 0.332373 ] [ 0.169168 0.75 0.832373 ] [ 0.781037 0.042502 0.596822 ] [ 0.718963 0.042502 0.096822 ] [ 0.341023 0.25 0.659862 ] [ 0.737919 0.25 0.318698 ] [ 0.762081 0.25 0.818698 ] [ 0.158977 0.25 0.159862 ] [ 0.718963 0.457498 0.096822 ] [ 0.781037 0.457498 0.596822 ] [ 0.218963 0.542502 0.403178 ] [ 0.281037 0.542502 0.903178 ] [ 0.658977 0.75 0.340138 ] [ 0.841023 0.75 0.840138 ] [ 0.262081 0.75 0.681302 ] [ 0.237919 0.75 0.181302 ] [ 0.218963 0.957498 0.403178 ] [ 0.281037 0.957498 0.903178 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Si" "Si" "Si" "Si" "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" 5.01318499 "source-unit" "angstrom" } "b" { "source-value" 6.57724743 "source-unit" "angstrom" } "c" { "source-value" 10.54488237 "source-unit" "angstrom" } }