{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6216499999999999 -0.12936189999999997 0.23208909999999996 ] [ 1.0155346999999997 0.8795448999999999 -1.9879723999999999 ] [ -2.4620281999999993 0.2709289999999999 -1.3455929999999998 ] [ 0.41454179999999996 1.9250820999999998 0.21389759999999997 ] [ 0.08522669999999999 0.18546509999999997 1.8160774999999998 ] [ -0.6589341999999999 -0.31611019999999995 -0.26810649999999997 ] [ 1.2285565999999999 -1.8697816999999999 1.7426660999999999 ] [ 0.9987524999999999 -0.9457673999999999 -0.40305849999999993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.959930963203199e-10 -2.072606118022675e-10 3.718477299625132e-10 ] [ 1.627065953951141e-09 1.409186275723874e-09 -3.185082902075666e-09 ] [ -3.944604021790305e-09 4.340761096967231e-10 -2.155877645712134e-09 ] [ 6.641691803043494e-10 3.084321533740567e-09 3.4270173396523e-10 ] [ 1.365482262079354e-10 2.97147847194334e-10 2.909676912060912e-09 ] [ -1.055728969885551e-09 -5.064643720364121e-10 -4.295539661845152e-10 ] [ 1.968364661849537e-09 -2.995720525739679e-09 2.792058883280715e-09 ] [ 1.600177905465552e-09 -1.515286416994802e-09 -6.457709055147167e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.011274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76964212880229e-18 } }