{ "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" [ 5.44976 0 0 ] "si-unit" "m" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0355309 5.38277 0 ] "si-unit" "m" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.05055 0.148675 5.46244 ] "si-unit" "m" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7473 1.1188093 -2.8260087 ] [ -0.3624963 -0.1838957 2.4431534 ] [ 0.8524103 -0.5040598 0.6982572 ] [ -1.4812051 -1.7014489 2.3516687 ] [ 1.5343944 1.6836742 -2.2676836 ] [ 0.07912 -0.7230768 -0.7277161 ] [ 0.7966085 1.149949 -0.8026365 ] [ -2.1661318 -0.8399513 1.1309657 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.19730658872384e-09 1.792530103593613e-09 -4.527765069317402e-09 ] [ -5.807830969865031e-10 -2.946333912056506e-10 3.914363258508031e-09 ] [ 1.365711853989114e-09 -8.075928270451238e-10 1.11873136114527e-09 ] [ -2.373152181829726e-09 -2.726021649065877e-09 3.767788611007128e-09 ] [ 2.458370834766444e-09 2.697543440284143e-09 -3.633229647291579e-09 ] [ 1.26764214237696e-10 -1.158496744002878e-09 -1.165929721999755e-09 ] [ 1.276307514630557e-09 1.842421402912339e-09 -1.285965435300739e-09 ] [ -3.470525727531422e-09 -1.345750335470567e-09 1.812006803466706e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.461558 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.841785578554321e-18 } }