{ "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" [ [ 0.8968877 0.0807312 -0.7194943 ] [ -0.4864206 -0.1656927 -0.3361237 ] [ -0.5094573 -0.0264354 -0.2543406 ] [ 0.0600373 0.7538717 0.4722504 ] [ 0.2954494 -0.1107587 0.2881279 ] [ 0.1839574 -0.5417751 -0.2395934 ] [ -0.4787175 0.160889 0.1034988 ] [ 0.0382635 -0.15083 0.6856749 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.436972504423084e-09 1.29345641209129e-10 -1.152756946258861e-09 ] [ -7.793317131955084e-10 -2.654689701772282e-10 -5.38529533836793e-10 ] [ -8.162405753558918e-10 -4.235417984149633e-11 -4.074985630402445e-10 ] [ 9.619035843595584e-11 1.207835612822751e-09 7.566285500434483e-10 ] [ 4.733621213093875e-10 -1.77454999690201e-10 4.616317851802003e-10 ] [ 2.947322455031539e-10 -8.680193989515821e-10 -3.838709439779827e-10 ] [ -7.669899864678241e-10 2.577725943438912e-10 1.65823357640855e-10 ] [ 6.13048851299808e-11 -2.41656299715264e-10 1.098572294249378e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 137.52998 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.203473186150916e-17 } }