{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.332924 0.664198 0.896582 ] [ 0.000797 0.004918 0.995115 ] [ 0.999096 0.005259 0.489969 ] [ 0.663103 0.322868 0.396311 ] [ 0.827761 0.177033 0.717132 ] [ 0.330645 0.666981 0.492635 ] [ 0.172621 0.345428 0.218432 ] [ 0.664848 0.331899 0.99634 ] [ 0.344867 0.174987 0.713126 ] [ 0.6501 0.817601 0.217697 ] [ 0.167314 0.817732 0.217656 ] [ 0.830549 0.666454 0.714417 ] [ 0.663426 0.835725 0.597801 ] [ 0.476865 0.955884 0.344603 ] [ 0.331623 0.661563 0.102935 ] [ 0.998615 0.999327 0.296956 ] [ 0.996235 0.010313 0.806725 ] [ 0.173932 0.836202 0.598086 ] [ 0.475821 0.515538 0.349933 ] [ 0.038132 0.515666 0.348198 ] [ 0.825807 0.651876 0.085149 ] [ 0.164047 0.337699 0.597564 ] [ 0.957238 0.473768 0.843141 ] [ 0.521078 0.474576 0.843695 ] [ 0.678594 0.32792 0.603225 ] [ 0.827738 0.182323 0.0891 ] [ 0.533317 0.045768 0.847622 ] [ 0.353207 0.180492 0.087695 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "Fe" "Fe" "Fe" "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" 5.91913475 "source-unit" "angstrom" } "b" { "source-value" 5.93463598 "source-unit" "angstrom" } "c" { "source-value" 9.53455577 "source-unit" "angstrom" } "alpha" { "source-value" 90.19425474 "source-unit" "degree" } "beta" { "source-value" 89.911767 "source-unit" "degree" } "gamma" { "source-value" 119.49720983 "source-unit" "degree" } }