{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.251197 0.258598 0.962911 ] [ 0.251197 0.241402 0.462911 ] [ 0.748803 0.758598 0.537089 ] [ 0.748803 0.741402 0.037089 ] [ 0.254699 0.764495 0.609442 ] [ 0.254699 0.735505 0.109442 ] [ 0.745301 0.264495 0.890558 ] [ 0.745301 0.235505 0.390558 ] [ 0.995072 0.248726 0.89546 ] [ 0.995072 0.251274 0.39546 ] [ 0.251987 0.682807 0.8574 ] [ 0.251987 0.817193 0.3574 ] [ 0.239997 0.036934 0.647624 ] [ 0.239997 0.463066 0.147624 ] [ 0.27282 0.497609 0.556704 ] [ 0.27282 0.002391 0.056704 ] [ 0.496667 0.294368 0.875961 ] [ 0.496667 0.205632 0.375961 ] [ 0.503333 0.794368 0.624039 ] [ 0.503333 0.705632 0.124039 ] [ 0.72718 0.997609 0.943296 ] [ 0.72718 0.502391 0.443296 ] [ 0.760003 0.536934 0.852376 ] [ 0.760003 0.963066 0.352376 ] [ 0.748013 0.182807 0.6426 ] [ 0.748013 0.317193 0.1426 ] [ 0.004928 0.748726 0.60454 ] [ 0.004928 0.751274 0.10454 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.313568 "source-unit" "angstrom" } "b" { "source-value" 6.76892652 "source-unit" "angstrom" } "c" { "source-value" 7.63146679 "source-unit" "angstrom" } "beta" { "source-value" 90.87112696 "source-unit" "degree" } }