{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 13.3492824 12.4918416 -12.2990636 ] [ -5.7492244 2.9472549 -4.5667542 ] [ -11.5006703 -7.3804753 -11.3543143 ] [ 9.4044658 10.2965289 10.7324999 ] [ 6.3900448 -4.8979153 4.0222596 ] [ 3.7123168 -6.199566 -4.725694 ] [ -6.9938031 2.2557564 0.8277731 ] [ -8.6124119 -9.5134252 17.3632935 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.138790834194744e-08 2.001413672714917e-08 -1.970527231999992e-08 ] [ -9.211272997302668e-09 4.722022935222006e-09 -7.316746872461361e-09 ] [ -1.842610522999777e-08 -1.182482507347414e-08 -1.819161706655206e-08 ] [ 1.506761536001212e-08 1.649685801488572e-08 1.719536056418734e-08 ] [ 1.02379804687732e-08 -7.8473254489711e-09 6.444370347002185e-09 ] [ 5.94778723496565e-09 -9.932799786140843e-09 -7.571396506233995e-09 ] [ -1.120530790961676e-08 3.614120196075957e-09 1.326238719073746e-09 ] [ -1.379860510856354e-08 -1.524218756474678e-08 2.781906313498408e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -31.926491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.115187788581129e-18 } }