{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6493581 5.4838508 7.6999723 ] [ -8.3747774 -8.318934 7.2626991 ] [ -1.3290556 -12.4136639 -5.9420092 ] [ 6.7826153 -3.8628271 1.2510109 ] [ -0.2949207 6.0834059 -3.2409204 ] [ 4.4572976 3.8157506 -2.3988426 ] [ 5.9661859 4.6841468 -2.2572642 ] [ -1.5579869 4.5282708 -2.3746459 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.051269544918633e-09 8.786097616102205e-09 1.233671570150724e-08 ] [ -1.341787266523127e-08 -1.332840167458816e-08 1.163612679779283e-08 ] [ -2.12938182760685e-09 -1.988888224290931e-08 -9.520148299253032e-09 ] [ 1.08669477510709e-08 -6.188931320801982e-09 2.00434043285931e-09 ] [ -4.725150544229237e-10 9.74669078811774e-09 -5.192526937533933e-09 ] [ 7.141378065504279e-09 6.11350645249148e-09 -3.843369562363809e-09 ] [ 9.558883643080259e-09 7.50483055318587e-09 -3.616535958004702e-09 ] [ -2.496170207258094e-09 7.255089668184485e-09 -3.8046021750039e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -323.10489 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.176711050891402e-17 } }