{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45158e-10 0.0 0.0 ] "source-value" [ 5.45158 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] "source-value" [ -0.0257054 5.42445 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] "source-value" [ -0.0529382 0.0294769 5.34001 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.270344392502214e-10 1.711813566961344e-10 1.172323848675706e-09 ] [ -7.363401874942578e-10 1.067169312046374e-09 -1.943152490109304e-09 ] [ -9.539349987183475e-10 -5.253202284689452e-10 -6.52696634393449e-10 ] [ 8.92967211549383e-10 -1.31347128309131e-09 3.553731886414751e-10 ] [ 1.520898200826816e-09 -6.654481979007341e-10 4.602604822104576e-11 ] [ -1.618046981317334e-09 1.083796380581712e-09 2.983475570479891e-10 ] [ -1.395820437700174e-09 -1.255811189555987e-09 -6.365962013133678e-10 ] [ 1.463242433168369e-09 1.437903689475093e-09 1.360374683229905e-09 ] ] "source-value" [ [ 0.5161943 0.106843 0.731707 ] [ -0.4595874 0.6660747 -1.2128204 ] [ -0.5953994 -0.3278791 -0.4073812 ] [ 0.5573463 -0.8198043 0.2218065 ] [ 0.94927 -0.4153401 0.0287272 ] [ -1.0099055 0.6764525 0.1862139 ] [ -0.8712026 -0.7838157 -0.3973321 ] [ 0.9132841 0.8974689 0.8490791 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.064052261408841e-16 "source-value" 664.12919 } }