{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0151084 -0.2332275 1.8846929 ] [ -0.4103576 1.133975 -1.5261939 ] [ -0.5050369 -0.1154189 -0.4599898 ] [ 0.8007477 -0.0282842 0.5306993 ] [ 1.208198 -0.9566306 0.3367644 ] [ -0.4321345 1.1060899 -0.6288439 ] [ -1.4421939 -1.8651812 -1.0581942 ] [ 0.7656689 0.9586776 0.9210653 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.420632525769472e-11 -3.73671647827632e-10 3.019610901767752e-09 ] [ -6.57465352887598e-10 1.81682823357168e-09 -2.445232185387573e-09 ] [ -8.091583138213076e-10 -1.849214631784531e-10 -7.369849033664679e-10 ] [ 1.282939244099372e-09 -4.531628397803136e-11 8.502740111349255e-10 ] [ 1.935746588897319e-09 -1.532691182061877e-09 5.395560483977396e-10 ] [ -6.923557929410976e-10 1.77215137828301e-09 -1.007518994712693e-09 ] [ -2.310649349240373e-09 -2.988349712195689e-09 -1.695414007506159e-09 ] [ 1.226736810853653e-09 1.535970837604654e-09 1.475709289890138e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.35692 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.742191115789594e-18 } }