{ "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" [ [ -0.7935693 0.6646637 0.0859181 ] [ 0.5456467 0.0263692 -1.4964953 ] [ -0.1106744 0.0748039 -0.695468 ] [ 1.2761447 -0.5702195 0.9642406 ] [ -1.0203561 -0.068611 -0.256435 ] [ 0.252268 -0.8043585 2.4853303 ] [ -0.1558198 1.0725883 0.9736751 ] [ 0.0063601 -0.3952362 -2.0607658 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.271438179444621e-09 1.064908640834425e-09 1.376559711235565e-10 ] [ 8.742223859566715e-10 4.224811574919936e-11 -2.397649782797082e-09 ] [ -1.773199362010675e-10 1.198490597246611e-10 -1.114262570114534e-09 ] [ 2.04460920309783e-09 -9.135923516242656e-10 1.544883746146164e-09 ] [ -1.634790688310667e-09 -1.099269401297088e-10 -4.108541617548481e-10 ] [ 4.041778917759744e-10 -1.288724383441757e-09 3.981938101625851e-09 ] [ -2.496508406177318e-10 1.718475898003617e-09 1.559999481475102e-09 ] [ 1.019000352595008e-11 -6.332381993338329e-10 -3.301710785704208e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.605671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.864875026489656e-18 } }