{ "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" [ [ 0.4058388 0.0189835 -0.3381615 ] [ -0.2430871 -0.0807122 -0.1455616 ] [ -0.2266552 -0.0171038 -0.101948 ] [ 0.0466482 0.3427621 0.1980955 ] [ 0.1330501 -0.0399883 0.1245125 ] [ 0.0821971 -0.2500784 -0.0919064 ] [ -0.2243256 0.075538 0.0465137 ] [ 0.0263337 -0.0494009 0.3084558 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.50225437173527e-10 3.04149198809568e-11 -5.417944493546592e-10 ] [ -3.894684684380717e-10 -1.293151998533338e-10 -2.332153924062413e-10 ] [ -3.631416624227482e-10 -2.740330848683904e-11 -1.633387021373184e-10 ] [ 7.473865544240257e-11 5.491654231163117e-10 3.173839787856864e-10 ] [ 2.131697596151021e-10 -6.406831936553664e-11 1.9949101649736e-10 ] [ 1.316942719175597e-10 -4.006697658470707e-10 -1.472502853818931e-10 ] [ -3.594092317669325e-10 1.210252175819904e-10 7.452316268690495e-11 ] [ 4.219123847916096e-11 -7.914896702647872e-11 4.942006713101607e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 27.340602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.380447332299773e-18 } }