{ "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" [ [ 0.002857 0.39669 0.16475 ] [ 0.997143 0.89669 0.33525 ] [ 0.002857 0.10331 0.66475 ] [ 0.997143 0.60331 0.83525 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.539053 0.269284 0.920409 ] [ 0.460947 0.769284 0.579591 ] [ 0.460947 0.730716 0.079591 ] [ 0.539053 0.230716 0.420409 ] [ 0.528497 0.598079 0.336712 ] [ 0.471503 0.098079 0.163288 ] [ 0.528497 0.901921 0.836712 ] [ 0.471503 0.401921 0.663288 ] [ 0.340485 0.163544 0.301981 ] [ 0.659515 0.663544 0.198019 ] [ 0.771995 0.109934 0.459045 ] [ 0.228005 0.609934 0.040955 ] [ 0.228005 0.890066 0.540955 ] [ 0.771995 0.390066 0.959045 ] [ 0.213466 0.910384 0.832645 ] [ 0.786534 0.410384 0.667355 ] [ 0.786534 0.089616 0.167355 ] [ 0.213466 0.589616 0.332645 ] [ 0.677538 0.088709 0.861508 ] [ 0.322462 0.588709 0.638492 ] [ 0.322462 0.911291 0.138492 ] [ 0.677538 0.411291 0.361508 ] [ 0.642073 0.776677 0.950965 ] [ 0.357927 0.276677 0.549035 ] [ 0.357927 0.223323 0.049035 ] [ 0.642073 0.723323 0.450965 ] [ 0.659515 0.836456 0.698019 ] [ 0.340485 0.336456 0.801981 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Cu" "Cu" "B" "B" "B" "B" "B" "B" "B" "B" "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" 4.57939661601 "source-unit" "angstrom" } "b" { "source-value" 7.24172052 "source-unit" "angstrom" } "c" { "source-value" 9.32540570288 "source-unit" "angstrom" } "beta" { "source-value" 90.261391464 "source-unit" "degree" } }