{ "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" [ [ -4.6509949 1.0378453 -0.3951847 ] [ 9.4064593 0.7952432 6.5639031 ] [ 3.0382061 -4.7089533 4.9361997 ] [ 1.1132717 -2.643554 -3.0806297 ] [ -10.7243546 3.1582046 -4.4348023 ] [ 1.9510401 7.6794745 3.2514437 ] [ 3.8813167 -2.1959325 0.3659071 ] [ -4.0149444 -3.122328 -7.2068367 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.451715292240035e-09 1.662811475667162e-09 -6.331556872378617e-10 ] [ 1.507080917496673e-08 1.274120062890179e-09 1.051653208801664e-08 ] [ 4.867742782591948e-09 -7.54457488569901e-09 7.908663754939975e-09 ] [ 1.783657890338272e-09 -4.235440414622323e-09 -4.935712882682118e-09 ] [ -1.718231021328894e-08 5.060001573823016e-09 -7.105336562930068e-09 ] [ 3.125910834463294e-09 1.230387450392977e-08 5.209387079987449e-09 ] [ 6.218554874660608e-09 -3.518271712354896e-09 5.862478010047276e-10 ] [ -6.432650051491884e-09 -5.002520924069223e-09 -1.154662527066342e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.503654 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.00330621133724e-18 } }