{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] "source-value" [ 5.36644 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] "source-value" [ -0.227231 5.37948 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] "source-value" [ -0.0350261 -0.0899265 5.39939 ] } "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" [ [ 3.730762789953427e-10 4.089881226663685e-09 -1.157894005158133e-09 ] [ -1.827909047298795e-09 1.663397712092713e-09 -6.097477265903116e-10 ] [ 3.578188151225292e-09 3.977492542156116e-09 -3.768925515537249e-09 ] [ -1.195060176883816e-09 1.863794919686797e-09 -5.589202434285201e-09 ] [ 3.785997828955507e-10 -2.249051746441772e-09 2.860615860667085e-09 ] [ -3.301072959191468e-09 -3.398750137531526e-09 4.980506696864106e-09 ] [ 5.142902357842422e-09 -2.870128624135423e-09 2.525614507976744e-09 ] [ -3.148724387584527e-09 -3.07663589249059e-09 7.590324558452967e-10 ] ] "source-value" [ [ 0.2328559 2.5527031 -0.7227006 ] [ -1.1408911 1.0382112 -0.3805746 ] [ 2.2333294 2.4825556 -2.3523783 ] [ -0.7458979 1.1632893 -3.4885058 ] [ 0.2363034 -1.4037477 1.785456 ] [ -2.0603677 -2.121333 3.1085878 ] [ 3.2099472 -1.7913934 1.5763646 ] [ -1.9652792 -1.9202851 0.4737508 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.702656566245602e-18 "source-value" -35.593183 } }