{ "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" [ 5.37157 0 0 ] "si-unit" "m" "si-value" [ 5.37157e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00742946 5.44743 0 ] "si-unit" "m" "si-value" [ -7.42946e-13 5.447429999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0324182 0.1292 5.41398 ] "si-unit" "m" "si-value" [ 3.24182e-12 1.292e-11 5.41398e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0294164 -0.0853048 -0.0527531 ] [ 1.50657 1.46533 1.29324 ] [ 0.0376731 2.77305 2.66982 ] [ 1.30492 4.09759 4.08062 ] [ 2.57907 0.017247 2.67471 ] [ 4.14556 1.36588 4.04305 ] [ 2.78643 2.5664 0.0569683 ] [ 4.11497 4.06206 1.21769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.94164e-12 -8.530480000000001e-12 -5.27531e-12 ] [ 1.50657e-10 1.46533e-10 1.29324e-10 ] [ 3.76731e-12 2.77305e-10 2.66982e-10 ] [ 1.30492e-10 4.09759e-10 4.08062e-10 ] [ 2.57907e-10 1.7247e-12 2.67471e-10 ] [ 4.14556e-10 1.36588e-10 4.04305e-10 ] [ 2.78643e-10 2.5664e-10 5.69683e-12 ] [ 4.114969999999999e-10 4.06206e-10 1.21769e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3854283 1.3889284 0.5975523 ] [ -3.0853832 -2.0139527 0.9401954 ] [ 0.4136562 -0.3218064 -0.356431 ] [ 1.162413 -0.6454469 0.0830394 ] [ 2.5676759 -0.4490628 -0.0287532 ] [ -1.4538477 -0.233034 -0.8018465 ] [ 0.6661741 1.9773823 -2.4520716 ] [ -1.6561164 0.2969922 2.0183153 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.219700850342342e-09 2.225308628779005e-09 9.573843326529582e-10 ] [ -4.943328869976149e-09 -3.226707957921212e-09 1.506359101274283e-09 ] [ 6.627502981492307e-10 -5.155906947516575e-10 -5.710654198332539e-10 ] [ 1.862390947657842e-09 -1.034119941667735e-09 1.330437863813796e-10 ] [ 4.11387033066492e-09 -7.194779253586151e-10 -4.606770519272879e-11 ] [ -2.329320814334642e-09 -3.733616297275559e-10 -1.284699726354681e-09 ] [ 1.067328577195979e-09 3.168115717545178e-09 -3.928651822414994e-09 ] [ -2.653390999264198e-09 4.758339633202548e-10 3.2336976137047e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.699652292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.559497211065316e-18 } }