{ "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" [ 5.41852 0 0 ] "si-unit" "m" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038783 5.47951 0 ] "si-unit" "m" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00323821 0.0198894 5.39896 ] "si-unit" "m" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0259194 -0.1041245 2.1852466 ] [ -0.8631167 1.0125239 -1.1726959 ] [ -0.0971805 -0.2881767 -2.0827345 ] [ 1.8619284 1.4488298 0.617467 ] [ -2.4121759 -4.105844 -1.8529065 ] [ 0.4389882 2.1351425 2.5920605 ] [ -0.2963076 -1.7176041 -1.0018735 ] [ 1.3419448 1.6192532 0.7154361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.152745704729959e-11 -1.66825840926933e-10 3.501151042047944e-09 ] [ -1.382865409155188e-09 1.622242133946552e-09 -1.8788659697676e-09 ] [ -1.55700326380437e-10 -4.617099752032278e-10 -3.336908550725672e-09 ] [ 2.983138176661005e-09 2.321281252202893e-09 9.89291199666078e-10 ] [ -3.86473186407792e-09 -6.578287319649096e-09 -2.968683499286721e-09 ] [ 7.033366366417187e-10 3.420875423760345e-09 4.152938767014357e-09 ] [ -4.747371131966184e-10 -2.751905155482599e-09 -1.605178311923799e-09 ] [ 2.150032602677803e-09 2.594329641569728e-09 1.146255002540087e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.144057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.790916358336413e-18 } }