{ "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" [ [ -0.6185413 0.4699501 0.1293332 ] [ 0.3271836 0.0656906 -0.9545374 ] [ 0.0263461 0.0146542 -0.4288799 ] [ 0.9214466 -0.2572299 0.4719636 ] [ -0.817155 -0.150551 -0.0383229 ] [ 0.2683259 -0.5045383 1.579131 ] [ -0.1140674 0.6329402 0.6913863 ] [ 0.0064614 -0.2709159 -1.4500739 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.91012418023984e-10 7.529430693659633e-10 2.072146310404488e-10 ] [ 5.242059189480024e-10 1.052479443934404e-10 -1.529337518559111e-09 ] [ 4.22111058170274e-11 2.34786168299628e-11 -6.871413545722565e-10 ] [ 1.476320211998744e-09 -4.121277353461566e-10 7.561690520185222e-10 ] [ -1.30922664735627e-09 -2.41209294425334e-10 -6.140005492711859e-11 ] [ 4.299054872770205e-10 -8.083594752180822e-10 2.530046790225054e-09 ] [ -1.827561229811316e-10 1.014081999159287e-09 1.107722974927714e-09 ] [ 1.03523041029276e-11 -4.340551247590805e-10 -2.323274520153252e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.749805 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.887967887505637e-18 } }