{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0860322 0.5077619 0.478924 ] [ 0.430893 0.2139002 -1.1827526 ] [ 0.342466 0.1516875 -0.2419574 ] [ 0.9914275 0.2088577 0.5975174 ] [ -0.7681263 -0.4434136 0.2565038 ] [ 0.6907236 -0.4013038 1.2851996 ] [ -0.2254621 0.2795801 0.8762393 ] [ -0.3758895 -0.5170698 -2.069674 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.74001540027599e-09 8.135242451129876e-10 7.673208359400193e-10 ] [ 6.903666906663744e-10 3.427058996244442e-10 -1.894978563910414e-09 ] [ 5.486910186188928e-10 2.430301661676e-10 -3.876584895095539e-10 ] [ 1.588441961718192e-09 3.346269240140602e-10 9.573284088012019e-10 ] [ -1.230673999681607e-09 -7.104269032647629e-10 4.109643915063591e-10 ] [ 1.106661203354811e-09 -6.42959566198199e-10 2.059116752181512e-09 ] [ -3.612301054964717e-10 4.479366998609261e-10 1.403890120686158e-09 ] [ -6.022413689042016e-10 -8.28437144881732e-10 -3.315983295477619e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.36303 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.49856141513049e-17 } }