{ "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" [ [ 1.3333845 1.3991148 -2.9301305 ] [ -1.9840046 -1.8912525 0.6669453 ] [ 0.1091902 0.1242428 0.5749461 ] [ 0.1992648 0.7643047 0.452768 ] [ -0.0103079 -0.6455576 1.3700716 ] [ -0.0687463 -0.4090971 1.6932701 ] [ 0.9582495 0.9577967 -2.9907383 ] [ -0.5370303 -0.2995517 1.1628678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.136317472437097e-09 2.241629022375268e-09 -4.694586582993015e-09 ] [ -3.178725785679656e-09 -3.030120539529552e-09 1.068564167012442e-09 ] [ 1.749419856604762e-10 1.990589094627303e-10 9.211651996401389e-10 ] [ 3.192574039083879e-10 1.224551121507558e-09 7.254143042463744e-10 ] [ -1.651507638954432e-11 -1.034297294099758e-09 2.195096686342049e-09 ] [ -1.10143714626503e-10 -6.554458092570796e-10 2.712917766919678e-09 ] [ 1.53528494579329e-09 1.534559480219391e-09 -4.791690983191136e-09 ] [ -8.604173913212102e-10 -4.799347304608953e-10 1.86311960224113e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.025024 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.771845121655891e-18 } }