{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.18551e-10 0.0 0.0 ] "source-value" [ 5.18551 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] "source-value" [ 0.238045 5.44258 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] "source-value" [ 0.0219846 -0.0831786 5.06218 ] } "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" [ [ -4.965759301940291e-09 -9.428431780378477e-09 -8.969497419757057e-10 ] [ 9.091909641639674e-09 1.605729287238962e-09 -8.288984115308602e-10 ] [ 6.927849840142775e-09 -7.994815996193631e-09 9.214562350233072e-09 ] [ -3.092232745436988e-08 2.69724384927782e-08 -1.688663204270886e-08 ] [ -8.684768203768205e-09 -5.835487582475618e-09 -1.025924959950106e-08 ] [ 2.07042626059948e-08 -9.898735026083433e-09 -8.462392177072324e-09 ] [ 1.374018675136742e-08 -1.047399109438116e-08 3.979106398644482e-08 ] [ -5.891354039283955e-09 1.50532935392775e-08 -1.167150452410675e-08 ] ] "source-value" [ [ -3.0993832 -5.8847643 -0.559832 ] [ 5.6747237 1.0022174 -0.5173577 ] [ 4.3240238 -4.9899717 5.7512775 ] [ -19.3001989 16.8348721 -10.5398068 ] [ -5.420606 -3.6422249 -6.40332 ] [ 12.9225844 -6.1783045 -5.2818098 ] [ 8.5759501 -6.5373511 24.8356289 ] [ -3.677094 9.3955269 -7.2847802 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.220248115419633e-18 "source-value" -20.099208 } }