{ "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" [ [ 1.9724746 0.7461473 -1.5929822 ] [ -0.8433868 -0.1594922 -0.4635912 ] [ -0.830528 -0.3611854 -1.2846071 ] [ -0.2713386 1.9288152 1.7617158 ] [ 0.7037402 -0.9276444 0.7017697 ] [ 0.4670804 -1.1835719 -0.676098 ] [ -0.8225772 0.1961575 -0.3514522 ] [ -0.3754646 -0.2392261 1.9052451 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.160252689241832e-09 1.195459759733044e-09 -2.55223883819055e-09 ] [ -1.351254613251326e-09 -2.555346740399578e-10 -7.42754982248617e-10 ] [ -1.330652544519782e-09 -5.786828036542964e-10 -2.058167462533688e-09 ] [ -4.347323612406029e-10 3.090302619283676e-09 2.822579867253968e-09 ] [ 1.127516095557116e-09 -1.486250170096044e-09 1.12435900652583e-09 ] [ 7.483452969139123e-10 -1.896291227215836e-09 -1.083228408969638e-09 ] [ -1.317913958643126e-09 3.14278960494576e-10 -5.630884981687257e-10 ] [ -6.015606040580236e-10 -3.832824645051628e-10 3.052539156113758e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.05628303877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.732717792247436e-18 } }