{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45804e-10 0.0 0.0 ] "source-value" [ 5.45804 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] "source-value" [ -0.0357167 5.39587 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] "source-value" [ 0.019829 -0.0610013 5.23355 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -9.512621996142305e-09 1.140142737353277e-08 7.332516235570431e-09 ] [ -1.291776866361471e-08 -1.219163305945365e-08 1.188784627299571e-08 ] [ -6.145184317834705e-09 -1.529442512614945e-08 -8.837843042037354e-09 ] [ 1.366458484316173e-08 -3.796707738794907e-09 8.036977273969983e-09 ] [ -1.05313841050738e-09 4.88297371441992e-09 -7.35495119435617e-09 ] [ 4.31364249526591e-09 2.4917327983237e-09 1.899666853138199e-09 ] [ 9.359153503077425e-09 1.074472609867564e-08 -1.151687589495075e-08 ] [ 2.291332386376374e-09 1.761906099663642e-09 -1.447336504330053e-09 ] ] "source-value" [ [ -5.9373117 7.1162113 4.5765967 ] [ -8.0626371 -7.6094189 7.4198101 ] [ -3.8355224 -9.5460294 -5.5161478 ] [ 8.5287631 -2.3697186 5.0162867 ] [ -0.6573173 3.0477125 -4.5905995 ] [ 2.6923639 1.5552173 1.1856788 ] [ 5.8415242 6.7063306 -7.1882686 ] [ 1.4301372 1.0996953 -0.9033564 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.77680165558744e-18 "source-value" -23.572942 } }