{ "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" [ [ 0.5392408 -0.4047528 2.3237692 ] [ -1.44201 -0.630323 -1.5859849 ] [ 0.2373399 0.3707948 -2.042655 ] [ 1.9426787 0.8645875 -1.0104269 ] [ -0.758949 -2.1495608 -0.6242146 ] [ -0.5088011 1.5642499 3.0173461 ] [ -0.8023515 -0.6106621 0.103647 ] [ 0.7928522 0.9956665 -0.1814809 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.639590098594671e-10 -6.484854787060752e-10 3.723088715048873e-09 ] [ -2.31035472799434e-09 -1.009888782472782e-09 -2.541027948656826e-09 ] [ 3.802604420958966e-10 5.940787645687031e-10 -3.27269411232327e-09 ] [ 3.112514420509496e-09 1.385221890548475e-09 -1.618882369545054e-09 ] [ -1.215970354197666e-09 -3.443976087122348e-09 -1.000102046721656e-09 ] [ -8.151892337734974e-10 2.506204639516836e-09 4.834321418111027e-09 ] [ -1.285508825554851e-09 -9.783885478893712e-10 1.66060801584198e-10 ] [ 1.270289269055495e-09 1.595233601556561e-09 -2.907644574972906e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -328.56712 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.26422562364674e-17 } }