{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.752458 0.469316 0.182424 ] [ 0.252458 0.969316 0.317576 ] [ 0.752458 0.030684 0.682424 ] [ 0.252458 0.530684 0.817576 ] [ 0.813971 0.975634 0.117626 ] [ 0.313971 0.475634 0.382374 ] [ 0.813971 0.524366 0.617626 ] [ 0.313971 0.024366 0.882374 ] [ 0.237991 0.260879 0.091166 ] [ 0.737991 0.760879 0.408834 ] [ 0.237991 0.239121 0.591166 ] [ 0.737991 0.739121 0.908834 ] [ 0.780252 0.707458 0.079584 ] [ 0.928211 0.234809 0.132 ] [ 0.371299 0.42572 0.185506 ] [ 0.36997 0.041605 0.098512 ] [ 0.86997 0.541605 0.401488 ] [ 0.871299 0.92572 0.314494 ] [ 0.428211 0.734809 0.368 ] [ 0.280252 0.207458 0.420416 ] [ 0.780252 0.792542 0.579584 ] [ 0.928211 0.265191 0.632 ] [ 0.371299 0.07428 0.685506 ] [ 0.36997 0.458395 0.598512 ] [ 0.86997 0.958395 0.901488 ] [ 0.871299 0.57428 0.814494 ] [ 0.428211 0.765191 0.868 ] [ 0.280252 0.292542 0.920416 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "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" 5.10989901 "source-unit" "angstrom" } "b" { "source-value" 7.05825187 "source-unit" "angstrom" } "c" { "source-value" 9.4902945 "source-unit" "angstrom" } }