{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0981875 -1.2916961 -0.8972342 ] [ 2.1558474 1.2516757 1.1664471 ] [ -0.9133508 1.0523032 -1.1122239 ] [ -0.910612 0.325315 -0.2389266 ] [ -0.8800798 -0.5934412 -2.4218537 ] [ 2.4277443 -0.737062 -0.2723442 ] [ -1.0836098 0.9062359 2.7587964 ] [ 0.3022484 -0.9133306 1.0173392 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.7594903377548e-09 -2.069525292598539e-09 -1.437527658622191e-09 ] [ 3.454048302292466e-09 2.005405543363475e-09 1.86885427301996e-09 ] [ -1.463349298348977e-09 1.685975585033027e-09 -1.781979129674997e-09 ] [ -1.45896125701993e-09 5.212120873955521e-10 -3.828026126072332e-10 ] [ -1.41004327999834e-09 -9.50797616459497e-10 -3.880237377137977e-09 ] [ 3.889675158740462e-09 -1.18090350448009e-09 -4.363435100504794e-10 ] [ -1.736134287629764e-09 1.451949971909647e-09 4.420079093627205e-09 ] [ 4.842553201542067e-10 -1.463316934381236e-09 1.629957081663376e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.066014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.77841244362455e-18 } }