{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5048e-10 0.0 0.0 ] "source-value" [ 5.5048 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] "source-value" [ 0.0192448 5.36034 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] "source-value" [ 0.190348 0.0157222 5.58687 ] } "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" [ [ 2.243944007374662e-09 4.074733928455317e-09 -3.234654086505556e-09 ] [ -1.316561881792833e-09 1.800854372444642e-09 -3.42132032002406e-09 ] [ -3.580194396789857e-09 -3.896933980138658e-09 -2.659205116142682e-09 ] [ 9.470060654863737e-10 -9.726279137885453e-10 5.50593619377859e-09 ] [ 3.665855250473915e-09 4.076163230218733e-10 6.783862547666804e-10 ] [ 2.708795847127346e-09 1.133834759714227e-10 -1.043232953549284e-09 ] [ -2.021404398445797e-09 1.252783396177999e-09 7.732995182181964e-10 ] [ -2.64744049343381e-09 -2.779809762361713e-09 3.400790509458115e-09 ] ] "source-value" [ [ 1.4005597 2.5432489 -2.0189123 ] [ -0.8217333 1.1240049 -2.1354202 ] [ -2.2345816 -2.4322749 -1.6597453 ] [ 0.5910747 -0.6070666 3.4365351 ] [ 2.2880469 0.2544141 0.4234154 ] [ 1.6906974 0.0707684 -0.6511348 ] [ -1.2616614 0.7819259 0.4826556 ] [ -1.6524024 -1.7350208 2.1226065 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.13409e-12 -6.87251e-12 -7.641280000000001e-12 ] [ 1.39555e-10 1.34846e-10 1.39039e-10 ] [ 1.52538e-11 2.8802e-10 2.74744e-10 ] [ 1.52254e-10 4.15487e-10 3.864390000000001e-10 ] [ 2.76536e-10 1.71046e-12 2.52424e-10 ] [ 4.13989e-10 1.28016e-10 4.0502e-10 ] [ 2.78466e-10 2.66896e-10 -1.7742e-11 ] [ 4.2307e-10 4.058290000000001e-10 1.13615e-10 ] ] "source-value" [ [ -0.0113409 -0.0687251 -0.0764128 ] [ 1.39555 1.34846 1.39039 ] [ 0.152538 2.8802 2.74744 ] [ 1.52254 4.15487 3.86439 ] [ 2.76536 0.0171046 2.52424 ] [ 4.13989 1.28016 4.0502 ] [ 2.78466 2.66896 -0.17742 ] [ 4.2307 4.05829 1.13615 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.683449512697788e-18 "source-value" -35.473302 } }