{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.616687 0.84677 0.102954 ] [ 0.116687 0.65323 0.897046 ] [ 0.383313 0.34677 0.397046 ] [ 0.883313 0.15323 0.602954 ] [ 0.607141 0.472402 0.711424 ] [ 0.107141 0.027598 0.288576 ] [ 0.392859 0.972402 0.788576 ] [ 0.892859 0.527598 0.211424 ] [ 0.923947 0.826165 0.973503 ] [ 0.423947 0.673835 0.026497 ] [ 0.076053 0.326165 0.526497 ] [ 0.576053 0.173835 0.473503 ] [ 0.179903 0.116984 0.746862 ] [ 0.679903 0.383016 0.253138 ] [ 0.820097 0.616984 0.753138 ] [ 0.320097 0.883016 0.246862 ] [ 0.690898 0.979736 0.695193 ] [ 0.190898 0.520264 0.304807 ] [ 0.309102 0.479736 0.804807 ] [ 0.809102 0.020264 0.195193 ] [ 0.274915 0.795178 0.747679 ] [ 0.774915 0.704822 0.252321 ] [ 0.725085 0.295178 0.752321 ] [ 0.225085 0.204822 0.247679 ] [ 0.449296 0.000554 0.969733 ] [ 0.949296 0.499446 0.030267 ] [ 0.550704 0.500554 0.530267 ] [ 0.050704 0.999446 0.469733 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "As" "As" "As" "As" "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" 4.99038726 "source-unit" "angstrom" } "b" { "source-value" 8.92003601 "source-unit" "angstrom" } "c" { "source-value" 9.33254368 "source-unit" "angstrom" } }