{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2624110000000006 -0.6491067000000001 -1.3048019000000002 ] [ -10.783196700000001 -8.706339300000002 11.613622500000002 ] [ 6.034557200000002 -7.185111400000002 1.1955951000000002 ] [ -9.955585000000001 -8.838592000000002 13.683937500000004 ] [ 6.408493800000001 9.334643400000001 -13.498910600000004 ] [ 0.27225960000000005 4.750148600000001 5.732619400000001 ] [ 11.325181000000002 8.744089200000001 -10.523519600000002 ] [ -5.564120800000001 2.5502683000000004 -6.898542500000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.62478201084075e-09 -1.03998357914464e-09 -2.09052309895542e-09 ] [ -1.727658565022771e-08 -1.394909327921224e-08 1.860707445229685e-08 ] [ 9.668426462720313e-09 -1.151181750292356e-08 1.915554517163038e-09 ] [ -1.595060553338717e-08 -1.416098546318992e-08 2.192408474298841e-08 ] [ 1.026753894090175e-08 1.495574741898502e-08 -2.162763896958931e-08 ] [ 4.362079659083598e-10 7.610577032245853e-09 9.184668778624526e-09 ] [ 1.814494022452837e-08 1.400957528642978e-08 -1.686053707165057e-08 ] [ -8.914704261066995e-09 4.085980247027362e-09 -1.105268351109519e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.941845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.438083052581738e-18 } }