{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] "source-value" [ 5.44976 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] "source-value" [ -0.0355309 5.38277 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] "source-value" [ 0.05055 0.148675 5.46244 ] } "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" [ [ 7.056938171786603e-09 6.6733368741339e-09 -1.270708564233275e-08 ] [ -8.993571725661198e-10 -4.676378646785932e-10 6.76325038522255e-09 ] [ 3.692371754201142e-09 -3.035369911009941e-09 3.210793030309643e-09 ] [ -1.179081108682761e-08 -1.092202809049855e-08 1.126985807139164e-08 ] [ 1.191693923694684e-08 1.066238367320858e-08 -1.097102008808002e-08 ] [ 1.052100520492426e-09 -1.755634859934507e-09 -1.333747629315844e-09 ] [ 2.793711848900394e-09 5.378918835634808e-09 -2.566348086166301e-09 ] [ -1.382189343315135e-08 -6.533968656855695e-09 6.334299958971089e-09 ] ] "source-value" [ [ 4.4045944 4.1651693 -7.9311391 ] [ -0.5613346 -0.2918766 4.2212889 ] [ 2.3045972 -1.8945289 2.0040194 ] [ -7.3592455 -6.8169938 7.0340922 ] [ 7.4379685 6.6549365 -6.8475722 ] [ 0.6566695 -1.0957811 -0.8324598 ] [ 1.7436978 3.3572571 -1.6017885 ] [ -8.6269474 -4.0781825 3.9535591 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.786501752708084e-18 "source-value" -61.08254 } }