{ "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" [ [ 0.898298 0.625666 0.752386 ] [ 0.601702 0.374334 0.252386 ] [ 0.101702 0.125666 0.747614 ] [ 0.398298 0.874334 0.247614 ] [ 0.379411 0.579479 0.59655 ] [ 0.120589 0.420521 0.09655 ] [ 0.620589 0.079479 0.90345 ] [ 0.879411 0.920521 0.40345 ] [ 0.396843 0.692799 0.900791 ] [ 0.103157 0.307201 0.400791 ] [ 0.603157 0.192799 0.599209 ] [ 0.896843 0.807201 0.099209 ] [ 0.393733 0.725691 0.451219 ] [ 0.209477 0.675235 0.779682 ] [ 0.928219 0.61797 0.038003 ] [ 0.364956 0.573981 0.049849 ] [ 0.576572 0.628223 0.786709 ] [ 0.923428 0.371777 0.286709 ] [ 0.135044 0.426019 0.549849 ] [ 0.571781 0.38203 0.538003 ] [ 0.290523 0.324765 0.279682 ] [ 0.106267 0.274309 0.951219 ] [ 0.606267 0.225691 0.048781 ] [ 0.790523 0.175235 0.720318 ] [ 0.071781 0.11797 0.461997 ] [ 0.635044 0.073981 0.450151 ] [ 0.423428 0.128223 0.713291 ] [ 0.076572 0.871777 0.213291 ] [ 0.864956 0.926019 0.950151 ] [ 0.428219 0.88203 0.961997 ] [ 0.709477 0.824765 0.220318 ] [ 0.893733 0.774309 0.548781 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "P" "P" "P" "P" "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" 6.4190295 "source-unit" "angstrom" } "b" { "source-value" 7.59013755 "source-unit" "angstrom" } "c" { "source-value" 8.29762362 "source-unit" "angstrom" } }