{ "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" [ [ 0.1921606 -0.2155076 2.1947763 ] [ -0.6454461 1.4009373 -1.973031 ] [ -0.6810794 -0.2428034 -0.5595151 ] [ 0.9948434 -0.2664219 0.6180975 ] [ 1.5876519 -1.1544091 0.4342856 ] [ -0.7800567 1.3793128 -0.633052 ] [ -1.7702339 -2.2265799 -1.3324653 ] [ 1.1021602 1.3254718 1.2509041 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.078752207589005e-10 -3.45281238324718e-10 3.516419275745927e-09 ] [ -1.034118651406539e-09 2.244548989266676e-09 -3.161144140313645e-09 ] [ -1.091209491588492e-09 -3.890139309307507e-10 -8.964420122045741e-10 ] [ 1.593914836837183e-09 -4.268549394491155e-10 9.90301363874928e-10 ] [ 2.5436987561487e-09 -1.849567270858769e-09 6.958022350701005e-10 ] [ -1.249788607638399e-09 2.209902720930186e-09 -1.014261114150682e-09 ] [ -2.836227367927605e-09 -3.567374260123202e-09 -2.134844751687258e-09 ] [ 1.765855304816252e-09 2.123639929489694e-09 2.004169303882866e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.125217 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.787897809872671e-18 } }