{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.8742 0.974849 0.590748 ] [ 0.6258 0.474849 0.590748 ] [ 0.1258 0.025151 0.090748 ] [ 0.1258 0.025151 0.409252 ] [ 0.383367 0.190616 0.75 ] [ 0.883367 0.309384 0.25 ] [ 0.3742 0.525151 0.090748 ] [ 0.3742 0.525151 0.409252 ] [ 0.616633 0.809384 0.25 ] [ 0.116633 0.690616 0.75 ] [ 0.6258 0.474849 0.909252 ] [ 0.8742 0.974849 0.909252 ] [ 0.120059 0.465389 0.599954 ] [ 0.379941 0.965389 0.900046 ] [ 0.879941 0.534611 0.099954 ] [ 0.620059 0.034611 0.400046 ] [ 0.379941 0.965389 0.599954 ] [ 0.620059 0.034611 0.099954 ] [ 0.879941 0.534611 0.400046 ] [ 0.120059 0.465389 0.900046 ] [ 0.764249 0.943835 0.75 ] [ 0.235751 0.056165 0.25 ] [ 0.264249 0.556165 0.25 ] [ 0.735751 0.443835 0.75 ] [ 0.049572 0.704209 0.094659 ] [ 0.97095 0.650193 0.618749 ] [ 0.217482 0.981425 0.531461 ] [ 0.950428 0.295791 0.594659 ] [ 0.273206 0.451071 0.825892 ] [ 0.273206 0.451071 0.674108 ] [ 0.226794 0.951071 0.825892 ] [ 0.726794 0.548929 0.174108 ] [ 0.52905 0.150193 0.618749 ] [ 0.549572 0.795791 0.594659 ] [ 0.717482 0.518575 0.468539 ] [ 0.450428 0.204209 0.405341 ] [ 0.282518 0.481425 0.531461 ] [ 0.282518 0.481425 0.968539 ] [ 0.549572 0.795791 0.905341 ] [ 0.52905 0.150193 0.881251 ] [ 0.47095 0.849807 0.381251 ] [ 0.97095 0.650193 0.881251 ] [ 0.226794 0.951071 0.674108 ] [ 0.773206 0.048929 0.174108 ] [ 0.773206 0.048929 0.325892 ] [ 0.02905 0.349807 0.381251 ] [ 0.717482 0.518575 0.031461 ] [ 0.47095 0.849807 0.118749 ] [ 0.782518 0.018575 0.031461 ] [ 0.950428 0.295791 0.905341 ] [ 0.217482 0.981425 0.968539 ] [ 0.049572 0.704209 0.405341 ] [ 0.782518 0.018575 0.468539 ] [ 0.726794 0.548929 0.325892 ] [ 0.450428 0.204209 0.094659 ] [ 0.02905 0.349807 0.118749 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Cl" "Cl" "Cl" "Cl" "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" 6.38213954 "source-unit" "angstrom" } "b" { "source-value" 7.1710663 "source-unit" "angstrom" } "c" { "source-value" 18.34258559 "source-unit" "angstrom" } }