{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.56756e-10 0.0 0.0 ] "source-value" [ 5.56756 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.033250000000001e-11 5.387920000000001e-10 0.0 ] "source-value" [ 0.603325 5.38792 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.02741e-11 -4.50618e-11 5.48706e-10 ] "source-value" [ -0.402741 -0.450618 5.48706 ] } "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" [ [ 1.255600759678611e-08 -2.045374610934884e-08 2.291411870358532e-08 ] [ -8.563159793896244e-09 8.847402108410034e-09 1.18922734074343e-08 ] [ 1.019012593224391e-08 -6.727513515260282e-09 -1.586668848873719e-08 ] [ -3.183994383279494e-09 2.363113583994441e-09 -3.161910140956049e-09 ] [ -3.98182018142656e-09 7.302317128880296e-09 8.481271905936507e-09 ] [ -9.713246232163555e-09 2.212919026701803e-08 -2.185702243617157e-08 ] [ -7.182372419211375e-09 -1.1960388344291e-08 -2.854331963742645e-09 ] [ 9.87845948094721e-09 -1.500374798967354e-09 4.522890126513293e-10 ] ] "source-value" [ [ 7.836843600000002 -12.766224300000003 14.301868100000004 ] [ -5.344704000000001 5.5221141000000005 7.422573300000002 ] [ 6.360176400000002 -4.198983700000001 -9.903208100000002 ] [ -1.9872930000000004 1.4749395000000003 -1.9735091000000005 ] [ -2.4852567000000003 4.557747900000001 5.293593600000001 ] [ -6.062531500000002 13.811954300000004 -13.642080500000004 ] [ -4.482884300000001 -7.465087300000002 -1.7815339000000003 ] [ 6.165649500000002 -0.9364603000000002 0.28229660000000006 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.36492e-11 6.38405e-12 1.89929e-11 ] [ 1.53887e-10 1.35333e-10 1.11771e-10 ] [ 3.18438e-11 2.15889e-10 3.01891e-10 ] [ 1.68585e-10 3.81794e-10 4.45016e-10 ] [ 2.72641e-10 -3.20403e-11 2.65546e-10 ] [ 4.33601e-10 7.481900000000001e-11 4.56114e-10 ] [ 3.14234e-10 2.88247e-10 7.698180000000001e-12 ] [ 4.12798e-10 3.93896e-10 1.35009e-10 ] ] "source-value" [ [ -0.336492 0.0638405 0.189929 ] [ 1.53887 1.35333 1.11771 ] [ 0.318438 2.15889 3.01891 ] [ 1.68585 3.81794 4.45016 ] [ 2.72641 -0.320403 2.65546 ] [ 4.33601 0.74819 4.56114 ] [ 3.14234 2.88247 0.0769818 ] [ 4.12798 3.93896 1.35009 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -8.580749770580683e-19 "source-value" -5.3556828 } }