{ "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" [ [ 0.4359286 2.7735056 -0.089772 ] [ -0.8989317 -0.3336832 -0.6163858 ] [ -0.5377252 -0.6182094 -1.4963385 ] [ 1.2040413 0.9264012 0.6890744 ] [ 0.5203166 -1.4972077 1.1194604 ] [ 1.0203982 -1.6728191 -0.8061806 ] [ -1.141307 0.3511456 -0.7919371 ] [ -0.6027208 0.070867 1.9920792 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.984346112580749e-10 4.443645829977876e-09 -1.438305996024576e-10 ] [ -1.440247353436e-09 -5.346194217937306e-10 -9.875589181531046e-10 ] [ -8.615307438550042e-10 -9.904806474387956e-10 -2.397398561502941e-09 ] [ 1.929086821337639e-09 1.484258344121065e-09 1.104018893671788e-09 ] [ 8.336390919341454e-10 -2.39879117342174e-09 1.793573280791416e-09 ] [ 1.634858139946403e-09 -2.680151652847697e-09 -1.291643709462517e-09 ] [ -1.828575392555386e-09 5.625972708167885e-10 -1.268823106764152e-09 ] [ -9.656651746298726e-10 1.135414505862336e-10 3.191662721021967e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.715043 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.88239835262667e-18 } }