{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.060607 0.394597 ] [ 0.5 0.939393 0.894597 ] [ 0 0.437651 0.178611 ] [ 0.5 0.562349 0.678611 ] [ 0 0.059393 0.700376 ] [ 0.5 0.940607 0.200376 ] [ 0 0.728576 0.508417 ] [ 0.5 0.271424 0.008417 ] [ 0 0.095352 0.095681 ] [ 0.5 0.904648 0.595681 ] [ 0 0.748154 0.27329 ] [ 0.5 0.251846 0.77329 ] [ 0 0.304728 0.600417 ] [ 0.5 0.695272 0.100417 ] [ 0 0.683949 0.91358 ] [ 0.5 0.316051 0.41358 ] [ 0 0.41528 0.873216 ] [ 0.5 0.58472 0.373216 ] [ 0 0.180697 0.891631 ] [ 0.5 0.819303 0.391631 ] [ 0 0.843505 0.083268 ] [ 0.5 0.156495 0.583268 ] [ 0 0.812405 0.711919 ] [ 0.5 0.187595 0.211919 ] [ 0 0.478644 0.459095 ] [ 0.5 0.521356 0.959095 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.68983083 "source-unit" "angstrom" } "b" { "source-value" 9.19422597 "source-unit" "angstrom" } "c" { "source-value" 10.35583412 "source-unit" "angstrom" } }