{ "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" [ [ 0.008221 0.77462 0.070137 ] [ 0.508221 0.27462 0.429863 ] [ 0.008221 0.72538 0.570137 ] [ 0.508221 0.22538 0.929863 ] [ 0.514541 0.5264 0.172577 ] [ 0.014541 0.0264 0.327423 ] [ 0.514541 0.9736 0.672577 ] [ 0.014541 0.4736 0.827423 ] [ 0.002949 0.269118 0.085949 ] [ 0.502949 0.769118 0.414051 ] [ 0.002949 0.230882 0.585949 ] [ 0.502949 0.730882 0.914051 ] [ 0.606034 0.751629 0.047783 ] [ 0.690201 0.282221 0.087642 ] [ 0.091709 0.05695 0.15352 ] [ 0.115423 0.480614 0.147419 ] [ 0.615423 0.980614 0.352581 ] [ 0.591709 0.55695 0.34648 ] [ 0.190201 0.782221 0.412358 ] [ 0.106034 0.251629 0.452217 ] [ 0.606034 0.748371 0.547783 ] [ 0.690201 0.217779 0.587642 ] [ 0.091709 0.44305 0.65352 ] [ 0.115423 0.019386 0.647419 ] [ 0.615423 0.519386 0.852581 ] [ 0.591709 0.94305 0.84648 ] [ 0.190201 0.717779 0.912358 ] [ 0.106034 0.248371 0.952217 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 4.95424878 "source-unit" "angstrom" } "b" { "source-value" 6.09126602 "source-unit" "angstrom" } "c" { "source-value" 10.97190349 "source-unit" "angstrom" } }