{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6155463 2.6929327 -4.1518178 ] [ -3.5510142 -3.3499904 1.629145 ] [ 0.1358351 0.2204807 0.4841067 ] [ 0.4089353 0.8795276 0.8227219 ] [ -0.1759269 -0.9040111 1.5942723 ] [ -0.2263516 -0.4577432 2.5212647 ] [ 2.0855978 2.1061698 -4.7830223 ] [ -1.2926218 -1.1873661 1.8833296 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.190567132479943e-09 4.31455381332782e-09 -6.65194541298129e-09 ] [ -5.689351931368816e-09 -5.36727629878444e-09 2.610178030893216e-09 ] [ 2.176318215040301e-10 3.532490228776186e-10 7.756244367126395e-10 ] [ 6.551865770798342e-10 1.409158558068334e-09 1.318145793600155e-09 ] [ -2.818659661498195e-10 -1.448385449363691e-09 2.554305806249044e-09 ] [ -3.626552416006732e-10 -7.333854533701785e-10 4.039511357188326e-09 ] [ 3.341496035551914e-09 3.374456012995012e-09 -7.663246505825044e-09 ] [ -2.071008427496413e-09 -1.902370205750475e-09 3.017426654380616e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.598918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.70357541453763e-18 } }