{ "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" [ [ 2.6766092 1.1364781 -1.6966411 ] [ -1.4169124 -0.4621605 -1.1708793 ] [ -1.7456533 0.2563969 -2.3660075 ] [ -0.2146812 2.4745967 2.3067347 ] [ 1.4619779 -1.1585478 1.199873 ] [ 0.512525 -1.9362272 -1.2050037 ] [ -1.2738451 0.4066939 -0.4597768 ] [ -2.010000000000217e-05 -0.7172302 3.3917007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.288400718589433e-09 1.820838656872715e-09 -2.718318726704057e-09 ] [ -2.270143939704861e-09 -7.404627542577569e-10 -1.875955455694276e-09 ] [ -2.796844928324992e-09 4.107931222100346e-10 -3.790761932368754e-09 ] [ -3.439572023990808e-10 3.964741011313508e-09 3.695796437176999e-09 ] [ 2.342346830804388e-09 -1.856198214532105e-09 1.922408484367482e-09 ] [ 8.2115557934085e-10 -3.102177977955245e-09 -1.930628772023546e-09 ] [ -2.040924854555393e-09 6.515954637703325e-10 -7.366436458152911e-10 ] [ -3.220375034340348e-14 -1.149129467639147e-09 5.434103611061443e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.308814 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.657095676505207e-18 } }