{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9822383 1.0130585 -2.5195997 ] [ -0.8691334 2.5865173 -0.7189623 ] [ 0.4010193 -0.2176971 -2.6856421 ] [ -0.440143 -0.3547754 3.6740383 ] [ 0.7350933 0.3855493 -0.332053 ] [ -1.4497589 0.7293995 2.6175657 ] [ 0.3370298 -1.066672 -1.4859742 ] [ -0.6963453 -3.0753801 1.4506272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.175895861114337e-09 1.623098644202717e-09 -4.036843733114694e-09 ] [ -1.392505213836415e-09 4.14405754735474e-09 -1.151904588296596e-09 ] [ 6.425037469495815e-10 -3.487892040359597e-10 -4.302872984456216e-09 ] [ -7.051868244087745e-10 -5.684128515149683e-10 5.886458268183776e-09 ] [ 1.177749299366721e-09 6.177180746258054e-10 -5.320075534665023e-10 ] [ -2.322769815376725e-09 1.168626826123209e-09 4.193802567947986e-09 ] [ 5.399812660728999e-10 -1.708996940461978e-09 -2.380793122351983e-09 ] [ -1.115668159663962e-09 -4.927302096293566e-09 2.324160985336566e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.766318 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.730395851169821e-18 } }