{ "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" [ [ 0.672973 0.338843 0.103164 ] [ 0.000066 0.998982 0.003108 ] [ 0.000203 0.000565 0.506905 ] [ 0.33345 0.670467 0.605683 ] [ 0.659568 0.319114 0.509138 ] [ 0.333549 0.659187 0.999648 ] [ 0.82736 0.655611 0.783954 ] [ 0.660273 0.829783 0.285125 ] [ 0.167677 0.828467 0.285103 ] [ 0.828551 0.167682 0.785436 ] [ 0.338817 0.168246 0.786044 ] [ 0.174207 0.339833 0.284784 ] [ 0.811554 0.146719 0.409742 ] [ 0.51724 0.042331 0.64981 ] [ 0.671431 0.340332 0.89145 ] [ 0.99386 0.989457 0.694927 ] [ 0.993942 0.993514 0.192997 ] [ 0.327438 0.156869 0.40561 ] [ 0.962728 0.495048 0.6562 ] [ 0.528607 0.494776 0.657628 ] [ 0.168976 0.334857 0.914889 ] [ 0.836641 0.670575 0.395805 ] [ 0.506678 0.544934 0.155225 ] [ 0.044914 0.53245 0.160687 ] [ 0.339994 0.674919 0.390589 ] [ 0.663761 0.819292 0.903213 ] [ 0.481199 0.969364 0.170069 ] [ 0.15464 0.817783 0.90523 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Mn" "Mn" "Mn" "Cu" "Cu" "Cu" "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" 5.82456801 "source-unit" "angstrom" } "b" { "source-value" 5.84941381 "source-unit" "angstrom" } "c" { "source-value" 9.49503293 "source-unit" "angstrom" } "alpha" { "source-value" 90.58954243 "source-unit" "degree" } "beta" { "source-value" 90.42759011 "source-unit" "degree" } "gamma" { "source-value" 119.46126023 "source-unit" "degree" } }