{ "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" [ [ 1.8269334 0.6818946 -1.4142986 ] [ -0.65641 -0.158545 -0.4832621 ] [ -0.821362 -0.292934 -1.3746762 ] [ -0.3907004 1.8465853 1.8066575 ] [ 0.6601202 -0.8358808 0.6810323 ] [ 0.4752935 -1.093361 -0.7100212 ] [ -0.7412031 0.149221 -0.3673138 ] [ -0.3526715 -0.2969801 1.8618823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.927069981238655e-09 1.092515585969768e-09 -2.265956151750171e-09 ] [ -1.051684755659328e-09 -2.54017092344736e-10 -7.742712383387118e-10 ] [ -1.31596699361353e-09 -4.693320062374273e-10 -2.202474068810185e-09 ] [ -6.259710466172084e-10 2.958555795972954e-09 2.894584408292976e-09 ] [ 1.05762915135782e-09 -1.339228675535601e-09 1.091134029069652e-09 ] [ 7.615041337182048e-10 -1.751757432294509e-09 -1.137579366912361e-09 ] [ -1.187538278084484e-09 2.390783975323968e-10 -5.88501582857207e-10 ] [ -5.650420321224673e-10 -4.758145730628461e-10 2.983064291741332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.681491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.633975460508562e-18 } }