{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.101306 0.2308103 -0.3809077 ] [ -0.1705958 -0.182252 -0.0330326 ] [ 0.0058187 0.0520256 0.2119114 ] [ 0.0239731 0.1739537 0.1196247 ] [ -0.1144337 -0.1227423 0.2913529 ] [ 0.0981917 -0.1627402 0.2575999 ] [ 0.0959064 0.0554333 -0.4992182 ] [ -0.0401663 -0.0444885 0.0326696 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.623101047467648e-10 3.697988664998342e-10 -6.102814116227001e-10 ] [ -2.733246023666726e-10 -2.919998934940416e-10 -5.292405944423809e-11 ] [ 9.322585103448958e-12 8.335420000309248e-11 3.395194907609972e-10 ] [ 3.840914034810048e-11 2.78704551241657e-10 1.916598976102138e-10 ] [ -1.833429987716409e-10 -1.966548434432198e-10 4.667988047822804e-10 ] [ 1.573204460966074e-10 -2.607385437043162e-10 4.127205373004179e-10 ] [ 1.536589918650931e-10 8.881393727379263e-11 -7.998357287178586e-10 ] [ -6.435350680403904e-11 -7.127843459446079e-11 5.234246933088768e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 29.960861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.800259103323851e-18 } }