{ "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 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.729694 0.169285 ] [ 0.75 0.229694 0.330715 ] [ 0.25 0.770306 0.669285 ] [ 0.75 0.270306 0.830715 ] [ 0.75 0.628809 0.124512 ] [ 0.25 0.128809 0.375488 ] [ 0.75 0.871191 0.624512 ] [ 0.25 0.371191 0.875488 ] [ 0.25 0.50263 0.055626 ] [ 0.75 0.164834 0.121038 ] [ 0.53838 0.76312 0.122367 ] [ 0.96162 0.76312 0.122367 ] [ 0.25 0.996008 0.190157 ] [ 0.75 0.496008 0.309843 ] [ 0.03838 0.26312 0.377633 ] [ 0.46162 0.26312 0.377633 ] [ 0.25 0.664834 0.378962 ] [ 0.75 0.00263 0.444374 ] [ 0.25 0.99737 0.555626 ] [ 0.75 0.335166 0.621038 ] [ 0.53838 0.73688 0.622367 ] [ 0.96162 0.73688 0.622367 ] [ 0.25 0.503992 0.690157 ] [ 0.75 0.003992 0.809843 ] [ 0.03838 0.23688 0.877633 ] [ 0.46162 0.23688 0.877633 ] [ 0.25 0.835166 0.878962 ] [ 0.75 0.49737 0.944374 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "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" 6.6870555 "source-unit" "angstrom" } "b" { "source-value" 7.64442036 "source-unit" "angstrom" } "c" { "source-value" 7.70509427 "source-unit" "angstrom" } }