{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2m" } "basis-atom-coordinates" { "source-value" [ [ 0.0906 0 0 ] [ 0.373429 0.018676 0.25 ] [ 0.973704 0.77979 0.25 ] [ 0.0906 0 0.5 ] [ 0.973704 0.22021 0.75 ] [ 0.373429 0.981324 0.75 ] [ 0.5906 0.5 0 ] [ 0.873429 0.518676 0.25 ] [ 0.473704 0.27979 0.25 ] [ 0.5906 0.5 0.5 ] [ 0.473704 0.72021 0.75 ] [ 0.873429 0.481324 0.75 ] [ 0.937934 0.211157 0.25 ] [ 0.937934 0.788843 0.75 ] [ 0.437934 0.711157 0.25 ] [ 0.437934 0.288843 0.75 ] [ 0.853636 0.303505 0.016175 ] [ 0.733776 0.991598 0.25 ] [ 0.853636 0.303505 0.483825 ] [ 0.853636 0.696495 0.516175 ] [ 0.733776 0.008402 0.75 ] [ 0.853636 0.696495 0.983825 ] [ 0.353636 0.803505 0.016175 ] [ 0.233776 0.491598 0.25 ] [ 0.353636 0.803505 0.483825 ] [ 0.353636 0.196495 0.516175 ] [ 0.233776 0.508402 0.75 ] [ 0.353636 0.196495 0.983825 ] [ 0.949119 0.19276 0.058502 ] [ 0.276325 0.877402 0.10776 ] [ 0.84318 0.672085 0.105846 ] [ 0.637895 0.87932 0.25 ] [ 0.917037 0.987153 0.25 ] [ 0.662267 0.115792 0.25 ] [ 0.84318 0.672085 0.394154 ] [ 0.276325 0.877402 0.39224 ] [ 0.949119 0.19276 0.441498 ] [ 0.949119 0.80724 0.558502 ] [ 0.276325 0.122598 0.60776 ] [ 0.84318 0.327915 0.605846 ] [ 0.662267 0.884208 0.75 ] [ 0.637895 0.12068 0.75 ] [ 0.917037 0.012847 0.75 ] [ 0.84318 0.327915 0.894154 ] [ 0.276325 0.122598 0.89224 ] [ 0.949119 0.80724 0.941498 ] [ 0.449119 0.69276 0.058502 ] [ 0.776325 0.377402 0.10776 ] [ 0.34318 0.172085 0.105846 ] [ 0.137895 0.37932 0.25 ] [ 0.417037 0.487153 0.25 ] [ 0.162267 0.615792 0.25 ] [ 0.34318 0.172085 0.394154 ] [ 0.776325 0.377402 0.39224 ] [ 0.449119 0.69276 0.441498 ] [ 0.449119 0.30724 0.558502 ] [ 0.776325 0.622598 0.60776 ] [ 0.34318 0.827915 0.605846 ] [ 0.162267 0.384208 0.75 ] [ 0.137895 0.62068 0.75 ] [ 0.417037 0.512847 0.75 ] [ 0.34318 0.827915 0.894154 ] [ 0.776325 0.622598 0.89224 ] [ 0.449119 0.30724 0.941498 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.26253352 "source-unit" "angstrom" } "b" { "source-value" 9.49465226 "source-unit" "angstrom" } "c" { "source-value" 10.1490239 "source-unit" "angstrom" } }