{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47211e-10 0.0 0.0 ] "source-value" [ 5.47211 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] "source-value" [ 0.102197 5.35978 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] "source-value" [ 0.0185088 0.0167086 5.27242 ] } "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" [ [ -3.088707011587022e-09 -1.346472756908886e-09 -2.096946705681193e-09 ] [ 3.636922984837848e-09 2.060367411251708e-09 3.327863755556176e-09 ] [ -2.436838382071202e-09 4.073955110399946e-09 -4.141069327739286e-09 ] [ -2.550147677265081e-10 -2.02226733077376e-12 2.361911150440531e-09 ] [ -2.261239824431522e-09 -2.85295969946693e-09 -6.976493524526885e-09 ] [ 3.59465195796297e-09 -2.814793609312205e-10 -3.243790819120992e-09 ] [ -1.686158874038446e-09 8.204650344519553e-10 7.800188386828711e-09 ] [ 2.496384077271544e-09 -2.471853471465799e-09 2.9683372444606e-09 ] ] "source-value" [ [ -1.9278193 -0.8404022 -1.3088112 ] [ 2.2699888 1.2859802 2.0770892 ] [ -1.5209549 2.5427628 -2.5846522 ] [ -0.1591677 -0.0012622 1.474189 ] [ -1.4113549 -1.7806774 -4.3543848 ] [ 2.2436053 -0.1756856 -2.024615 ] [ -1.0524176 0.512094 4.8684947 ] [ 1.5581204 -1.5428096 1.8526904 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.597170859708749e-18 "source-value" -34.934793 } }