{ "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" [ [ 2.116813054908465e-09 1.721957267582953e-09 -7.381330071111669e-09 ] [ 2.156813316858682e-10 -4.968617264596474e-10 6.842105032403788e-09 ] [ 1.894271843802979e-09 -2.718946437108425e-09 2.659209762454883e-09 ] [ -4.20403983568425e-09 -4.014510352326714e-09 4.96133168684871e-09 ] [ 3.991307149851302e-09 4.983046307025736e-09 -5.142943854216901e-09 ] [ 1.145239213118744e-09 -1.255208931364228e-09 -2.773867930145814e-09 ] [ 1.395544703103735e-09 3.56278017888072e-09 -1.822684990209014e-09 ] [ -6.554817460786842e-09 -1.782256146012733e-09 2.658180363976019e-09 ] ] "source-value" [ [ 1.3212108 1.0747612 -4.6070639 ] [ 0.1346177 -0.3101167 4.2705061 ] [ 1.1823115 -1.6970329 1.6597482 ] [ -2.6239553 -2.5056603 3.0966197 ] [ 2.491178 3.1101729 -3.2099731 ] [ 0.7148021 -0.7834398 -1.7313122 ] [ 0.8710305 2.2237125 -1.1376305 ] [ -4.0911953 -1.1123968 1.6591057 ] ] } "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" -5.649934220837922e-18 "source-value" -35.264116 } }