{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] "source-value" [ 5.41852 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] "source-value" [ 0.038783 5.47951 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] "source-value" [ 0.00323821 0.0198894 5.39896 ] } "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" [ [ -1.319834647976141e-10 -7.477877394498739e-10 3.094788072951268e-09 ] [ -1.101350308292183e-09 1.855431878161546e-09 -1.481511252087041e-09 ] [ 6.314674737325248e-11 -6.0297917123808e-10 -3.046712840832219e-09 ] [ 2.44673166248698e-09 2.244159980783146e-09 7.545165608219098e-10 ] [ -2.75420009060186e-09 -5.211254096403667e-09 -1.776703162062703e-09 ] [ -1.799306830046611e-10 2.714145514864197e-09 2.98675682819929e-09 ] [ -2.651900312275469e-10 -2.649388579987041e-09 -1.105830314559264e-09 ] [ 1.92277600784597e-09 2.397672053052111e-09 5.746959473510975e-10 ] ] "source-value" [ [ -0.0823776 -0.4667324 1.9316148 ] [ -0.6874088 1.1580695 -0.9246866 ] [ 0.0394131 -0.37635 -1.9016086 ] [ 1.5271298 1.4006945 0.4709322 ] [ -1.7190365 -3.252609 -1.1089309 ] [ -0.1123039 1.6940364 1.864187 ] [ -0.1655186 -1.6536183 -0.690205 ] [ 1.2001024 1.4965092 0.358697 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.36142e-12 -2.97439e-12 -1.41562e-11 ] [ 1.34075e-10 1.30471e-10 1.3715e-10 ] [ -2.80615e-12 2.73239e-10 2.73273e-10 ] [ 1.33689e-10 4.08129e-10 3.93514e-10 ] [ 2.80172e-10 1.57681e-11 2.72105e-10 ] [ 4.07194e-10 1.39009e-10 4.01929e-10 ] [ 2.65272e-10 2.79754e-10 1.44035e-12 ] [ 4.02421e-10 4.072440000000001e-10 1.32124e-10 ] ] "source-value" [ [ -0.0136142 -0.0297439 -0.141562 ] [ 1.34075 1.30471 1.3715 ] [ -0.0280615 2.73239 2.73273 ] [ 1.33689 4.08129 3.93514 ] [ 2.80172 0.157681 2.72105 ] [ 4.07194 1.39009 4.01929 ] [ 2.65272 2.79754 0.0144035 ] [ 4.02421 4.07244 1.32124 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.825315523327821e-18 "source-value" -36.35876 } }