{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] "source-value" [ 5.45189 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] "source-value" [ 0.103872 5.48254 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] "source-value" [ -0.0133572 0.0848103 5.46172 ] } "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" [ [ -1.170745704704218e-10 -4.45024423417298e-10 -3.341015703000998e-10 ] [ 6.140997189453908e-10 4.333099488366566e-10 2.415010488007085e-10 ] [ -9.806907074150592e-11 1.780744011718022e-10 -1.08933911060137e-10 ] [ -1.307550759824467e-10 -6.447447113890944e-11 9.431805483688896e-11 ] [ 2.831560387648877e-10 -1.63764560683127e-10 2.089190248224576e-11 ] [ 1.2865478265024e-12 1.628115860290752e-11 -3.313285230048192e-11 ] [ -2.52729422994599e-10 8.30257537958285e-11 1.462812889616333e-10 ] [ -2.999141653478074e-10 -3.742748673253632e-11 -2.682396142075776e-11 ] ] "source-value" [ [ -0.0730722 -0.2777624 -0.2085298 ] [ 0.3832909 0.2704508 0.1507331 ] [ -0.0612099 0.1111453 -0.0679912 ] [ -0.0816109 -0.0402418 0.0588687 ] [ 0.1767321 -0.1022138 0.0130397 ] [ 0.000803 0.0101619 -0.0206799 ] [ -0.1577413 0.0518206 0.0913016 ] [ -0.1871917 -0.0233604 -0.0167422 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.766020588937355e-18 "source-value" 29.747161 } }