{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 14.5842405 -2.3962365 13.2068205 ] [ -1.8299092 -5.0596022 -4.6227089 ] [ 8.6132143 7.87921 3.2072828 ] [ -23.5907643 19.3456619 -33.7145713 ] [ 0.6419137 -1.7521769 0.4896046 ] [ -19.1384146 9.081526 -3.318183 ] [ 31.2335542 -25.2882862 24.316065 ] [ -10.5138347 -1.810096 0.4356904 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.336652935373648e-08 -3.839194129837941e-09 2.11596592145322e-08 ] [ -2.931837762581632e-09 -8.106376422174994e-09 -7.406396185363842e-09 ] [ 1.379989069509466e-08 1.262388615637914e-08 5.138633560790095e-09 ] [ -3.779657133966136e-08 3.099516746544404e-08 -5.4016698362187e-08 ] [ 1.028459131184486e-09 -2.807296887814555e-09 7.844330500189163e-10 ] [ -3.066312068392445e-08 1.455020875826348e-08 -5.316315269936021e-09 ] [ 5.004167073601256e-08 -4.051630126354465e-08 3.89586311738252e-08 ] [ -1.68450202900784e-08 -2.900093516496864e-09 6.980529785381135e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -29.662148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.752400043984982e-18 } }