{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.244076 0.75 0.092386 ] [ 0.744656 0.003989 0.233084 ] [ 0.744656 0.496011 0.233084 ] [ 0.255344 0.503989 0.766916 ] [ 0.255344 0.996011 0.766916 ] [ 0.755924 0.25 0.907614 ] [ 0.210138 0.25 0.323383 ] [ 0.789862 0.75 0.676617 ] [ 0.285743 0.25 0.04222 ] [ 0.714257 0.75 0.95778 ] [ 0.267738 0.75 0.417721 ] [ 0.732262 0.25 0.582279 ] [ 0.642175 0.75 0.107238 ] [ 0.028226 0.25 0.087852 ] [ 0.482385 0.25 0.174654 ] [ 0.172238 0.937561 0.309626 ] [ 0.172238 0.562439 0.309626 ] [ 0.573011 0.75 0.452867 ] [ 0.860209 0.25 0.424472 ] [ 0.139791 0.75 0.575528 ] [ 0.426989 0.25 0.547133 ] [ 0.827762 0.437561 0.690374 ] [ 0.827762 0.062439 0.690374 ] [ 0.517615 0.75 0.825346 ] [ 0.971774 0.75 0.912148 ] [ 0.357825 0.25 0.892762 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "B" "B" "P" "P" "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" 5.05812499 "source-unit" "angstrom" } "b" { "source-value" 6.41266178 "source-unit" "angstrom" } "c" { "source-value" 8.48537545 "source-unit" "angstrom" } "beta" { "source-value" 95.58226205 "source-unit" "degree" } }