{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.096069 0.3511 0.759797 ] [ 0.096069 0.1489 0.259797 ] [ 0.092396 0.461583 0.941697 ] [ 0.092396 0.038417 0.441697 ] [ 0.037648 0.711738 0.570602 ] [ 0.037648 0.788262 0.070602 ] [ 0.475643 0.039252 0.190925 ] [ 0.475643 0.460748 0.690925 ] [ 0.38627 0.705715 0.324275 ] [ 0.38627 0.794285 0.824275 ] [ 0.421586 0.60573 0.505146 ] [ 0.421586 0.89427 0.005146 ] [ 0.578414 0.10573 0.505146 ] [ 0.578414 0.39427 0.005146 ] [ 0.61373 0.294285 0.824275 ] [ 0.61373 0.205715 0.324275 ] [ 0.524357 0.539252 0.190925 ] [ 0.524357 0.960748 0.690925 ] [ 0.962352 0.288262 0.070602 ] [ 0.962352 0.211738 0.570602 ] [ 0.907604 0.961583 0.941697 ] [ 0.907604 0.538417 0.441697 ] [ 0.903931 0.8511 0.759797 ] [ 0.903931 0.6489 0.259797 ] [ 0.056774 0.080619 0.75566 ] [ 0.056774 0.419381 0.25566 ] [ 0.465802 0.166837 0.015868 ] [ 0.465802 0.333163 0.515868 ] [ 0.534198 0.666837 0.015868 ] [ 0.534198 0.833163 0.515868 ] [ 0.943226 0.580619 0.75566 ] [ 0.943226 0.919381 0.25566 ] [ 0.99146 0.717336 0.921397 ] [ 0.99146 0.782664 0.421397 ] [ 0.03022 0.95968 0.592677 ] [ 0.03022 0.54032 0.092677 ] [ 0.451463 0.71039 0.678462 ] [ 0.451463 0.78961 0.178462 ] [ 0.48669 0.537914 0.848948 ] [ 0.48669 0.962086 0.348948 ] [ 0.51331 0.037914 0.848948 ] [ 0.51331 0.462086 0.348948 ] [ 0.548537 0.21039 0.678462 ] [ 0.548537 0.28961 0.178462 ] [ 0.96978 0.04032 0.092677 ] [ 0.96978 0.45968 0.592677 ] [ 0.00854 0.217336 0.921397 ] [ 0.00854 0.282664 0.421397 ] [ 0.021891 0.471616 0.678736 ] [ 0.021891 0.028384 0.178736 ] [ 0.016021 0.761721 0.841749 ] [ 0.016021 0.738279 0.341749 ] [ 0.048083 0.098082 0.925663 ] [ 0.048083 0.401918 0.425663 ] [ 0.060967 0.557471 0.548428 ] [ 0.060967 0.942529 0.048428 ] [ 0.132942 0.358732 0.574379 ] [ 0.132942 0.141268 0.074379 ] [ 0.159208 0.690729 0.698596 ] [ 0.159208 0.809271 0.198596 ] [ 0.23629 0.277257 0.963856 ] [ 0.23629 0.222743 0.463856 ] [ 0.233762 0.499382 0.806815 ] [ 0.233762 0.000618 0.306815 ] [ 0.24417 0.751028 0.965965 ] [ 0.24417 0.748972 0.465965 ] [ 0.289451 0.526943 0.308813 ] [ 0.289451 0.973057 0.808813 ] [ 0.326925 0.561252 0.080181 ] [ 0.326925 0.938748 0.580181 ] [ 0.377548 0.110518 0.693066 ] [ 0.377548 0.389482 0.193066 ] [ 0.446431 0.190286 0.218832 ] [ 0.446431 0.309714 0.718832 ] [ 0.465448 0.996481 0.432065 ] [ 0.465448 0.503519 0.932065 ] [ 0.451781 0.721816 0.591405 ] [ 0.451781 0.778184 0.091405 ] [ 0.469379 0.156377 0.839255 ] [ 0.469379 0.343623 0.339255 ] [ 0.530621 0.656377 0.839255 ] [ 0.530621 0.843623 0.339255 ] [ 0.548219 0.278184 0.091405 ] [ 0.548219 0.221816 0.591405 ] [ 0.534552 0.496481 0.432065 ] [ 0.534552 0.003519 0.932065 ] [ 0.553569 0.690286 0.218832 ] [ 0.553569 0.809714 0.718832 ] [ 0.622452 0.610518 0.693066 ] [ 0.622452 0.889482 0.193066 ] [ 0.673075 0.061252 0.080181 ] [ 0.673075 0.438748 0.580181 ] [ 0.710549 0.473057 0.808813 ] [ 0.710549 0.026943 0.308813 ] [ 0.75583 0.248972 0.465965 ] [ 0.75583 0.251028 0.965965 ] [ 0.766238 0.500618 0.306815 ] [ 0.766238 0.999382 0.806815 ] [ 0.76371 0.777257 0.963856 ] [ 0.76371 0.722743 0.463856 ] [ 0.840792 0.190729 0.698596 ] [ 0.840792 0.309271 0.198596 ] [ 0.867058 0.641268 0.074379 ] [ 0.867058 0.858732 0.574379 ] [ 0.939033 0.442529 0.048428 ] [ 0.939033 0.057471 0.548428 ] [ 0.951917 0.598082 0.925663 ] [ 0.951917 0.901918 0.425663 ] [ 0.983979 0.261721 0.841749 ] [ 0.983979 0.238279 0.341749 ] [ 0.978109 0.528384 0.178736 ] [ 0.978109 0.971616 0.678736 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" "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" 5.13303181 "source-unit" "angstrom" } "b" { "source-value" 12.48346903 "source-unit" "angstrom" } "c" { "source-value" 17.96316941 "source-unit" "angstrom" } }