{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8090168 0.2057413 0.33879809999999994 ] [ -1.1826258 1.2805434 -1.9846609999999996 ] [ -0.7791319 0.0700628 -0.27455759999999996 ] [ 1.0738559 -0.0409908 0.13895239999999998 ] [ 0.2052934 -2.8281559 0.4395168999999999 ] [ 1.170106 1.0930205 1.1373779999999998 ] [ -4.6199703 -4.0610853 -4.076093599999999 ] [ 4.9414896 4.280864 4.280666899999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.296187802794429e-09 3.296339007929991e-10 5.428143949914604e-10 ] [ -1.894775407914897e-09 2.051656697399743e-09 -3.179777454413548e-09 ] [ -1.248306914699483e-09 1.122529801477862e-10 -4.39889767782958e-10 ] [ 1.720506817088143e-09 -6.567450142788864e-11 2.226262866840499e-10 ] [ 3.289162858845427e-10 -4.531205262957583e-09 7.041837016264913e-10 ] [ 1.874716477057805e-09 1.751211891155126e-09 1.822280440612262e-09 ] [ -7.402008403450363e-09 -6.506575922734554e-09 -6.530621870112505e-09 ] [ 7.917139109046344e-09 6.858700217624372e-09 6.85838442861241e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -59.498664 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.532736842963462e-18 } }