{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pca2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.037664 0.029831 0.56005 ] [ 0.542523 0.042849 0.941473 ] [ 0.612396 0.782458 0.302602 ] [ 0.119502 0.788073 0.19461 ] [ 0.119502 0.711927 0.69461 ] [ 0.612396 0.717542 0.802602 ] [ 0.037664 0.470169 0.06005 ] [ 0.542523 0.457151 0.441473 ] [ 0.457477 0.542849 0.941473 ] [ 0.962336 0.529831 0.56005 ] [ 0.387604 0.282458 0.302602 ] [ 0.880498 0.288073 0.19461 ] [ 0.880498 0.211927 0.69461 ] [ 0.387604 0.217542 0.802602 ] [ 0.962336 0.970169 0.06005 ] [ 0.457477 0.957151 0.441473 ] [ 0.52714 0.968887 0.689713 ] [ 0.967425 0.788625 0.438437 ] [ 0.967425 0.711375 0.938437 ] [ 0.52714 0.531113 0.189713 ] [ 0.47286 0.468887 0.689713 ] [ 0.032575 0.288625 0.438437 ] [ 0.032575 0.211374 0.938437 ] [ 0.47286 0.031113 0.189713 ] [ 0.042679 0.962754 0.811774 ] [ 0.468711 0.786897 0.058877 ] [ 0.468711 0.713103 0.558877 ] [ 0.042679 0.537246 0.311774 ] [ 0.957321 0.462754 0.811774 ] [ 0.531289 0.286897 0.058877 ] [ 0.531289 0.213103 0.558877 ] [ 0.957321 0.037246 0.311774 ] [ 0.608472 0.972062 0.295671 ] [ 0.173041 0.992939 0.191262 ] [ 0.093699 0.931153 0.428513 ] [ 0.590799 0.961268 0.084896 ] [ 0.458086 0.81387 0.690122 ] [ 0.969771 0.779011 0.821323 ] [ 0.667101 0.805056 0.46098 ] [ 0.099753 0.797774 0.030427 ] [ 0.099753 0.702226 0.530427 ] [ 0.667101 0.694944 0.96098 ] [ 0.969771 0.720989 0.321323 ] [ 0.458086 0.68613 0.190122 ] [ 0.590799 0.538732 0.584896 ] [ 0.093699 0.568847 0.928513 ] [ 0.173041 0.507061 0.691262 ] [ 0.608472 0.527938 0.795671 ] [ 0.391528 0.472062 0.295671 ] [ 0.826959 0.492939 0.191262 ] [ 0.906301 0.431153 0.428513 ] [ 0.409201 0.461268 0.084896 ] [ 0.541914 0.31387 0.690122 ] [ 0.030229 0.279011 0.821323 ] [ 0.332899 0.305056 0.46098 ] [ 0.900247 0.297774 0.030427 ] [ 0.900247 0.202226 0.530427 ] [ 0.332899 0.194944 0.96098 ] [ 0.030229 0.220989 0.321323 ] [ 0.541914 0.18613 0.190122 ] [ 0.409201 0.038732 0.584896 ] [ 0.906301 0.068847 0.928513 ] [ 0.826959 0.007061 0.691262 ] [ 0.391528 0.027938 0.795671 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.35928084 "source-unit" "angstrom" } "b" { "source-value" 10.45049081 "source-unit" "angstrom" } "c" { "source-value" 12.78708153 "source-unit" "angstrom" } }