{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.23298e-10 0.0 0.0 ] "source-value" [ 5.23298 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] "source-value" [ -0.924429 5.53043 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] "source-value" [ -0.629107 -0.473789 5.46851 ] } "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" [ [ 1.405720126822435e-09 8.375653859610777e-10 2.179790131777575e-10 ] [ -2.582607999907216e-08 -1.14606697766988e-08 1.50230710408087e-08 ] [ 5.402805526656653e-09 -7.216690401558261e-09 -1.10231369709427e-08 ] [ 6.48220553459089e-09 1.075229109602607e-08 1.998632021263718e-09 ] [ 1.929986763945543e-10 -9.138753601025637e-09 1.151432138454654e-08 ] [ -2.172685439770299e-09 -2.554808088619664e-09 4.014898079068948e-09 ] [ 1.107005575197686e-08 1.19657479455229e-08 -2.227903896244353e-08 ] [ 3.444979662183414e-09 6.815317600609984e-09 5.33274394520569e-10 ] ] "source-value" [ [ 0.8773815 0.5227672 0.1360518 ] [ -16.1193714 -7.1531875 9.3766635 ] [ 3.372166 -4.5043039 -6.880101 ] [ 4.0458745 6.7110523 1.247448 ] [ 0.1204603 -5.7039614 7.1866742 ] [ -1.3560836 -1.5945858 2.5059023 ] [ 6.9093854 7.4684325 -13.9054825 ] [ 2.1501872 4.2537867 0.3328437 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.631786546640503e-18 "source-value" -28.909338 } }