{ "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 0 0 ] [ 0 0.5 0 ] [ 0.954554 0.929245 0.6587 ] [ 0.954554 0.570755 0.6587 ] [ 0.045446 0.429245 0.3413 ] [ 0.045446 0.070755 0.3413 ] [ 0.66591 0.75 0.182921 ] [ 0.610051 0.25 0.53967 ] [ 0.473117 0.25 0.150977 ] [ 0.526883 0.75 0.849023 ] [ 0.389949 0.75 0.46033 ] [ 0.33409 0.25 0.817079 ] [ 0.833511 0.899069 0.199234 ] [ 0.833511 0.600931 0.199234 ] [ 0.780362 0.25 0.23409 ] [ 0.776336 0.399186 0.5152 ] [ 0.776336 0.100814 0.5152 ] [ 0.690947 0.75 0.547025 ] [ 0.689494 0.898055 0.826203 ] [ 0.689494 0.601945 0.826203 ] [ 0.463051 0.75 0.024212 ] [ 0.58005 0.25 0.713851 ] [ 0.41995 0.75 0.286149 ] [ 0.536949 0.25 0.975788 ] [ 0.310506 0.398055 0.173797 ] [ 0.310506 0.101945 0.173797 ] [ 0.309053 0.25 0.452975 ] [ 0.223664 0.899186 0.4848 ] [ 0.223664 0.600814 0.4848 ] [ 0.219638 0.75 0.76591 ] [ 0.166489 0.399069 0.800766 ] [ 0.166489 0.100931 0.800766 ] ] } "species" { "source-value" [ "Na" "Na" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "P" "P" "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" 4.73018803 "source-unit" "angstrom" } "b" { "source-value" 8.63821825 "source-unit" "angstrom" } "c" { "source-value" 9.11612043 "source-unit" "angstrom" } "beta" { "source-value" 97.65932675 "source-unit" "degree" } }